[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate

C141H123F6N11O31S10 — CID 172935699

IUPAC[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate
SMILESC/C(=N\OS(=O)c1cccc2ccccc12)c1ccccc1.CCCCS(=O)(=O)O/N=C(C(=N/OS(=O)(=O)CCCC)\c1ccccc1)/c1ccccc1.CS(=O)(=O)O/N=C(\C(=O)c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(N/C(=N\OS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1.O=S(=O)(O/N=C(\c1ccccc1)c1cccc[nH+]1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C26H20N2O6S2.C22H28N2O6S2.C21H15F3N2O4S.C20H17NO3S.C18H14N2O3S.C18H15NO2S.C15H13NO4S.CHF3O3S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-3-5-17-31(25,26)29-23-21(19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)24-30-32(27,28)18-6-4-2;22-21(23,24)17-11-7-10-16(14-17)19(25-20(27)15-8-3-1-4-9-15)26-30-31(28,29)18-12-5-2-6-13-18;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;21-24(22,16-11-5-2-6-12-16)23-20-18(15-9-3-1-4-10-15)17-13-7-8-14-19-17;1-14(15-8-3-2-4-9-15)19-21-22(20)18-13-7-11-16-10-5-6-12-17(16)18;1-21(18,19)20-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;2-1(3,4)8(5,6)7/h1-20H;7-16H,3-6,17-18H2,1-2H3;1-14H,(H,25,26,27);2-15H,1H3;1-14H;2-13H,1H3;2-11H,1H3;(H,5,6,7)/b27-25-,28-26-;23-21-,24-22-;;;20-18+;19-14+;16-14-;
InChIKeyQFRAMAPPKPBWTI-HTRVATBNSA-N
MW2902.24 g/mol
LogP26.31
Rot. Bonds46

About [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate

[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate (PubChem CID 172935699) has the molecular formula C141H123F6N11O31S10 and a molecular weight of 2902.24 g/mol. Its IUPAC name is [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate.

Molecular Properties

Compound Name[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate
PubChem CID172935699
Molecular FormulaC141H123F6N11O31S10
Molecular Weight2902.24 g/mol
Exact Mass2899.55
IUPAC Name[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate
SMILESC/C(=N\OS(=O)c1cccc2ccccc12)c1ccccc1.CCCCS(=O)(=O)O/N=C(C(=N/OS(=O)(=O)CCCC)\c1ccccc1)/c1ccccc1.CS(=O)(=O)O/N=C(\C(=O)c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(N/C(=N\OS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1.O=S(=O)(O/N=C(\c1ccccc1)c1cccc[nH+]1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C26H20N2O6S2.C22H28N2O6S2.C21H15F3N2O4S.C20H17NO3S.C18H14N2O3S.C18H15NO2S.C15H13NO4S.CHF3O3S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-3-5-17-31(25,26)29-23-21(19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)24-30-32(27,28)18-6-4-2;22-21(23,24)17-11-7-10-16(14-17)19(25-20(27)15-8-3-1-4-9-15)26-30-31(28,29)18-12-5-2-6-13-18;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;21-24(22,16-11-5-2-6-12-16)23-20-18(15-9-3-1-4-10-15)17-13-7-8-14-19-17;1-14(15-8-3-2-4-9-15)19-21-22(20)18-13-7-11-16-10-5-6-12-17(16)18;1-21(18,19)20-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;2-1(3,4)8(5,6)7/h1-20H;7-16H,3-6,17-18H2,1-2H3;1-14H,(H,25,26,27);2-15H,1H3;1-14H;2-13H,1H3;2-11H,1H3;(H,5,6,7)/b27-25-,28-26-;23-21-,24-22-;;;20-18+;19-14+;16-14-;
InChIKeyQFRAMAPPKPBWTI-HTRVATBNSA-N
XLogP26.31
TPSA602.01 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002902.24
LogP ≤ 526.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate with MolForge

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Related Compounds

[(E)-[2-oxo-1-phenyl-2-(4-propylanthracen-9-yl)ethylidene]amino] 4-(trifluoromethyl)benzenesulfonate
CID 164755717
4-[(E)-benzylideneamino]oxysulfonylbenzoic acid;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(E)-(2-methyl-1-phenylpropylidene)amino] 4-bromobenzenesulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-(2,4,6-trimethylphenyl)ethylideneamino] 2,5-dichlorobenzenesulfonate
CID 172957196
[(Z)-[1-[3-(C,N-dimethylcarbonimidoyl)phenyl]-2,2,2-trifluoroethylidene]amino] 4-methylbenzenesulfonate
CID 172963344
[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;[(Z)-[cyano(phenyl)methylidene]amino] 9-oxofluorene-4-carboxylate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;[(E)-1-phenylethylideneamino] naphthalene-1-carboxylate
CID 172956828
(2E)-2-hydroxyimino-1-(4-methylnaphthalen-1-yl)-2-phenylethanone;[(E)-[2-(4-methylnaphthalen-1-yl)-2-oxo-1-phenylethylidene]amino] 4-methylbenzenesulfonate
CID 172947463
(1-phenylethylideneamino) benzenesulfonate
CID 86155707
[(E)-[2-[4-(2-hydroxypropoxy)naphthalen-1-yl]-2-oxo-1-phenylethylidene]amino] 4-methylbenzenesulfonate
CID 164755718
methyl 2-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 85447593
[(E)-3-oxohexan-2-ylideneamino] benzenesulfonate
CID 88531734
[(2,2,2-trifluoro-1-phenylethylidene)amino] 4-methoxybenzenesulfonate;[(2,2,2-trifluoro-1-phenylethylidene)amino] naphthalene-1-sulfonate
CID 134520723
[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-nitrobenzenesulfonate
CID 3589880
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728

Frequently Asked Questions

What is the IUPAC name of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate?
The IUPAC name of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate (CID 172935699) is [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate.
What is the SMILES notation for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate?
The canonical SMILES for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate is C/C(=N\OS(=O)c1cccc2ccccc12)c1ccccc1.CCCCS(=O)(=O)O/N=C(C(=N/OS(=O)(=O)CCCC)\c1ccccc1)/c1ccccc1.CS(=O)(=O)O/N=C(\C(=O)c1ccccc1)c1ccccc1.Cc1ccc(S(=O)(=O)ON=C(c2ccccc2)c2ccccc2)cc1.O=C(N/C(=N\OS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=S(=O)(O/N=C(C(=N/OS(=O)(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1.O=S(=O)(O/N=C(\c1ccccc1)c1cccc[nH+]1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate?
The InChIKey is QFRAMAPPKPBWTI-HTRVATBNSA-N. The full InChI is InChI=1S/C26H20N2O6S2.C22H28N2O6S2.C21H15F3N2O4S.C20H17NO3S.C18H14N2O3S.C18H15NO2S.C15H13NO4S.CHF3O3S/c29-35(30,23-17-9-3-10-18-23)33-27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28-34-36(31,32)24-19-11-4-12-20-24;1-3-5-17-31(25,26)29-23-21(19-13-9-7-10-14-19)22(20-15-11-8-12-16-20)24-30-32(27,28)18-6-4-2;22-21(23,24)17-11-7-10-16(14-17)19(25-20(27)15-8-3-1-4-9-15)26-30-31(28,29)18-12-5-2-6-13-18;1-16-12-14-19(15-13-16)25(22,23)24-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;21-24(22,16-11-5-2-6-12-16)23-20-18(15-9-3-1-4-10-15)17-13-7-8-14-19-17;1-14(15-8-3-2-4-9-15)19-21-22(20)18-13-7-11-16-10-5-6-12-17(16)18;1-21(18,19)20-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;2-1(3,4)8(5,6)7/h1-20H;7-16H,3-6,17-18H2,1-2H3;1-14H,(H,25,26,27);2-15H,1H3;1-14H;2-13H,1H3;2-11H,1H3;(H,5,6,7)/b27-25-,28-26-;23-21-,24-22-;;;20-18+;19-14+;16-14-;.
What are the key properties of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate?
[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate has a molecular weight of 2902.24 g/mol, XLogP of 26.31, 46 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzenesulfonate;[(Z)-[(2Z)-2-(benzenesulfonyloxyimino)-1,2-diphenylethylidene]amino] benzenesulfonate;(benzhydrylideneamino) 4-methylbenzenesulfonate;[(Z)-[(2Z)-2-butylsulfonyloxyimino-1,2-diphenylethylidene]amino] butane-1-sulfonate;[(Z)-(2-oxo-1,2-diphenylethylidene)amino] methanesulfonate;[(E)-1-phenylethylideneamino] naphthalene-1-sulfinate;[(E)-[phenyl(pyridin-1-ium-2-yl)methylidene]amino] benzenesulfonate;trifluoromethanesulfonate is sourced from PubChem (CID 172935699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).