U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H39N3O6.ClH
Molecular Weight 646.172
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIGULDIPINE HYDROCHLORIDE

SMILES

Cl.COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=MHOSUIMBPQVOEU-WAQYZQTGSA-N
InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H/t33-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NIGULDIPINE HYDROCHLORIDE
Common Name English
B-8509-034
Code English
(+)-NIGULDIPINE HYDROCHLORIDE
Common Name English
(S)-NIGULDIPINE HYDROCHLORIDE
Common Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(3-(4,4-DIPHENYL-1-PIPERIDINYL)PROPYL) 5-METHYL ESTER, HYDROCHLORIDE (1:1), (4S)-
Systematic Name English
BY-934
Code English
Code System Code Type Description
CAS
113145-69-0
Created by admin on Sat Dec 16 09:36:24 UTC 2023 , Edited by admin on Sat Dec 16 09:36:24 UTC 2023
PRIMARY
DRUG BANK
DBSALT001859
Created by admin on Sat Dec 16 09:36:24 UTC 2023 , Edited by admin on Sat Dec 16 09:36:24 UTC 2023
PRIMARY
PUBCHEM
16219720
Created by admin on Sat Dec 16 09:36:24 UTC 2023 , Edited by admin on Sat Dec 16 09:36:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID00274007
Created by admin on Sat Dec 16 09:36:24 UTC 2023 , Edited by admin on Sat Dec 16 09:36:24 UTC 2023
PRIMARY
FDA UNII
1G8C7QS9SR
Created by admin on Sat Dec 16 09:36:24 UTC 2023 , Edited by admin on Sat Dec 16 09:36:24 UTC 2023
PRIMARY