(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

C91H132N12O12 — CID 161085310

About (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 161085310) has the molecular formula C91H132N12O12 and a molecular weight of 1586.13 g/mol. Its IUPAC name is (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• PubChem CID: 161085310
• Molecular Formula: C91H132N12O12
• Molecular Weight: 1586.13 g/mol
• Exact Mass: 1585.01
• IUPAC Name: (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
• SMILES: CCN1C(=O)N(CC)[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CCCN(C)C)C2)C1=O.COc1ccc2c(c1)[C@]13CCN(CCCN(C)C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(CC2CC2)C(=O)N1CC1CC1.COc1ccc2c(c1)[C@]13CCN(CCN(C)C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(CC2CC2)C(=O)N1CC1CC1
• InChI: InChI=1S/C32H46N4O4.C31H44N4O4.C28H42N4O4/c1-33(2)14-4-15-34-16-13-30-21-31(28(37)35(19-22-5-6-22)29(38)36(31)20-23-7-8-23)11-12-32(30,39)27(34)17-24-9-10-25(40-3)18-26(24)30;1-32(2)14-15-33-13-12-29-20-30(27(36)34(18-21-4-5-21)28(37)35(30)19-22-6-7-22)10-11-31(29,38)26(33)16-23-8-9-24(39-3)17-25(23)29;1-6-31-24(33)27(32(7-2)25(31)34)11-12-28(35)23-17-20-9-10-21(36-5)18-22(20)26(28,19-27)13-16-30(23)15-8-14-29(3)4/h9-10,18,22-23,27,39H,4-8,11-17,19-21H2,1-3H3;8-9,17,21-22,26,38H,4-7,10-16,18-20H2,1-3H3;9-10,18,23,35H,6-8,11-17,19H2,1-5H3/t27-,30-,31+,32-;26-,29-,30+,31-;23-,26-,27+,28-/m111/s1
• InChIKey: UGKTVJIWMIOWCA-YFJNIMJMSA-N
• XLogP: 8.59
• TPSA: 229.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1586.13
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The IUPAC name of (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 161085310) is (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is CCN1C(=O)N(CC)[C@]2(CC[C@@]3(O)[C@H]4Cc5ccc(OC)cc5[C@@]3(CCN4CCCN(C)C)C2)C1=O.COc1ccc2c(c1)[C@]13CCN(CCCN(C)C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(CC2CC2)C(=O)N1CC1CC1.COc1ccc2c(c1)[C@]13CCN(CCN(C)C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(CC2CC2)C(=O)N1CC1CC1.

What is the InChIKey of (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

The InChIKey is UGKTVJIWMIOWCA-YFJNIMJMSA-N. The full InChI is InChI=1S/C32H46N4O4.C31H44N4O4.C28H42N4O4/c1-33(2)14-4-15-34-16-13-30-21-31(28(37)35(19-22-5-6-22)29(38)36(31)20-23-7-8-23)11-12-32(30,39)27(34)17-24-9-10-25(40-3)18-26(24)30;1-32(2)14-15-33-13-12-29-20-30(27(36)34(18-21-4-5-21)28(37)35(30)19-22-6-7-22)10-11-31(29,38)26(33)16-23-8-9-24(39-3)17-25(23)29;1-6-31-24(33)27(32(7-2)25(31)34)11-12-28(35)23-17-20-9-10-21(36-5)18-22(20)26(28,19-27)13-16-30(23)15-8-14-29(3)4/h9-10,18,22-23,27,39H,4-8,11-17,19-21H2,1-3H3;8-9,17,21-22,26,38H,4-7,10-16,18-20H2,1-3H3;9-10,18,23,35H,6-8,11-17,19H2,1-5H3/t27-,30-,31+,32-;26-,29-,30+,31-;23-,26-,27+,28-/m111/s1.

What are the key properties of (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?

(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione has a molecular weight of 1586.13 g/mol, XLogP of 8.59, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[2-(dimethylamino)ethyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-1',3'-bis(cyclopropylmethyl)-17-[3-(dimethylamino)propyl]-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-17-[3-(dimethylamino)propyl]-1',3'-diethyl-10-hydroxy-4-methoxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 161085310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).