sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride

C115H135BClF5N27NaO12 — CID 159947306

About sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride

sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (PubChem CID 159947306) has the molecular formula C115H135BClF5N27NaO12 and a molecular weight of 2251.77 g/mol. Its IUPAC name is sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
• PubChem CID: 159947306
• Molecular Formula: C115H135BClF5N27NaO12
• Molecular Weight: 2251.77 g/mol
• Exact Mass: 2250.04
• IUPAC Name: sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
• SMILES: C.C=C(B1OC(C)(C)C(C)(C)O1)C(C)C.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C(C)C.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)[C@@H](C)N.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C(C)C.C=C1c2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N[C@@H]1C.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12.Cl.[Na+].[OH-]
• InChI: InChI=1S/C23H26FN5O2.C21H22FN5O2.C20H21FN6O2.C20H19FN6O.C19H20FN5O2.C11H21BO2.CH4.ClH.Na.H2O/c1-5-31-23(30)18-13-26-29-10-8-20(27-22(18)29)28-9-6-7-19(28)17-11-16(24)12-25-21(17)15(4)14(2)3;1-12(2)13(3)19-15(9-14(22)10-23-19)17-5-4-7-26(17)18-6-8-27-20(25-18)16(11-24-27)21(28)29;1-11(12(2)22)18-14(8-13(21)9-23-18)16-4-3-6-26(16)17-5-7-27-19(25-17)15(10-24-27)20(28)29;1-11-12(2)24-20(28)15-10-23-27-7-5-17(25-19(15)27)26-6-3-4-16(26)14-8-13(21)9-22-18(11)14;1-3-27-19(26)15-11-22-25-8-6-17(23-18(15)25)24-7-4-5-16(24)14-9-13(20)10-21-12(14)2;1-8(2)9(3)12-13-10(4,5)11(6,7)14-12;;;;/h8,10-14,19H,4-7,9H2,1-3H3;6,8-12,17H,3-5,7H2,1-2H3,(H,28,29);5,7-10,12,16H,1,3-4,6,22H2,2H3,(H,28,29);5,7-10,12,16H,1,3-4,6H2,2H3,(H,24,28);6,8-11,16H,3-5,7H2,1-2H3;8H,3H2,1-2,4-7H3;1H4;1H;;1H2/q;;;;;;;;+1;/p-1/t;;12-,16?;12-,16-;;;;;;/m..11....../s1
• InChIKey: CVONRJKMNAPVOI-MWQCAELBSA-M
• XLogP: 17.64
• TPSA: 462.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.77
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?

The IUPAC name of sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride (CID 159947306) is sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride.

What is the SMILES notation for sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?

The canonical SMILES for sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is C.C=C(B1OC(C)(C)C(C)(C)O1)C(C)C.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C(C)C.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)[C@@H](C)N.C=C(c1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)OCC)c2n1)C(C)C.C=C1c2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(c3n2)C(=O)N[C@@H]1C.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3C)nc12.Cl.[Na+].[OH-].

What is the InChIKey of sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?

The InChIKey is CVONRJKMNAPVOI-MWQCAELBSA-M. The full InChI is InChI=1S/C23H26FN5O2.C21H22FN5O2.C20H21FN6O2.C20H19FN6O.C19H20FN5O2.C11H21BO2.CH4.ClH.Na.H2O/c1-5-31-23(30)18-13-26-29-10-8-20(27-22(18)29)28-9-6-7-19(28)17-11-16(24)12-25-21(17)15(4)14(2)3;1-12(2)13(3)19-15(9-14(22)10-23-19)17-5-4-7-26(17)18-6-8-27-20(25-18)16(11-24-27)21(28)29;1-11(12(2)22)18-14(8-13(21)9-23-18)16-4-3-6-26(16)17-5-7-27-19(25-17)15(10-24-27)20(28)29;1-11-12(2)24-20(28)15-10-23-27-7-5-17(25-19(15)27)26-6-3-4-16(26)14-8-13(21)9-22-18(11)14;1-3-27-19(26)15-11-22-25-8-6-17(23-18(15)25)24-7-4-5-16(24)14-9-13(20)10-21-12(14)2;1-8(2)9(3)12-13-10(4,5)11(6,7)14-12;;;;/h8,10-14,19H,4-7,9H2,1-3H3;6,8-12,17H,3-5,7H2,1-2H3,(H,28,29);5,7-10,12,16H,1,3-4,6,22H2,2H3,(H,28,29);5,7-10,12,16H,1,3-4,6H2,2H3,(H,24,28);6,8-11,16H,3-5,7H2,1-2H3;8H,3H2,1-2,4-7H3;1H4;1H;;1H2/q;;;;;;;;+1;/p-1/t;;12-,16?;12-,16-;;;;;;/m..11....../s1.

What are the key properties of sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride?

sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride has a molecular weight of 2251.77 g/mol, XLogP of 17.64, 22 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride is sourced from PubChem (CID 159947306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).