(3S,4S)-1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29FN2O2
Molecular Weight	420.5191
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S,4S)-1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID

Structure Search

SMILES

C[C@@H]1CN(CC[C@@]1(C(O)=O)C2=CC=CC=C2)[C@H]3CC[C@](CC3)(C#N)C4=CC=C(F)C=C4

InChI

InChIKey=ZCGOMHNNNFPNMX-DHJQOYHCSA-N

InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H29FN2O2
Molecular Weight	420.5191
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:45:43 UTC 2023` Edited by `admin` on `Sat Dec 16 14:45:43 UTC 2023`
Record UNII	LZ96QV2C42
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3S,4S)-1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID

Systematic Name

English

R 64034

Code

English

4-PIPERIDINECARBOXYLIC ACID, 1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYL-, (3S,4S)-

Systematic Name

English

4-PIPERIDINECARBOXYLIC ACID, 1-(4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYL-, (3S-(1(CIS),3.ALPHA.,4.ALPHA.))-

Systematic Name

English

LEVOCABASTINE HYDROCHLORIDE IMPURITY I [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

LZ96QV2C42

Created by admin on Sat Dec 16 14:45:43 UTC 2023 , Edited by admin on Sat Dec 16 14:45:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID80861015

Created by admin on Sat Dec 16 14:45:43 UTC 2023 , Edited by admin on Sat Dec 16 14:45:43 UTC 2023

PRIMARY

CAS

105452-52-6

Created by admin on Sat Dec 16 14:45:43 UTC 2023 , Edited by admin on Sat Dec 16 14:45:43 UTC 2023

PRIMARY

Related Record Type Details


					124XMA6YEI

LEVOCABASTINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: