NIGULDIPINE HYDROCHLORIDE

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 Search

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C36H39N3O6
Molecular Weight	609.7114
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:36:24 UTC 2023` Edited by `admin` on `Sat Dec 16 09:36:24 UTC 2023`
Record UNII	1G8C7QS9SR
Record Status	`Validated (UNII)`
Record Version

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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