Alpha benidipine, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31N3O6
Molecular Weight	505.5622
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC=CC(=C2)[N+]([O-])=O)C(=O)O[C@H]3CCCN(CC4=CC=CC=C4)C3

InChI

InChIKey=QZVNQOLPLYWLHQ-OZXSUGGESA-N

InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H31N3O6
Molecular Weight	505.5622
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:46:12 GMT 2025` Edited by `admin` on `Wed Apr 02 18:46:12 GMT 2025`
Record UNII	37FDT569S7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Alpha benidipine, (+)-

Common Name

English

(+)-Alpha benidipine

Preferred Name

English

3-Methyl 5-[(3S)-1-(phenylmethyl)-3-piperidinyl] (4S)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Systematic Name

English

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3S)-1-(phenylmethyl)-3-piperidinyl] ester, (4S)-

Systematic Name

English

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, [S-(R*,R*)]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

3088703

Created by admin on Wed Apr 02 18:46:12 GMT 2025 , Edited by admin on Wed Apr 02 18:46:12 GMT 2025

PRIMARY

CAS

119009-44-8

Created by admin on Wed Apr 02 18:46:12 GMT 2025 , Edited by admin on Wed Apr 02 18:46:12 GMT 2025

PRIMARY

FDA UNII

37FDT569S7

Created by admin on Wed Apr 02 18:46:12 GMT 2025 , Edited by admin on Wed Apr 02 18:46:12 GMT 2025

PRIMARY

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