(3S,4R)-1-(CIS-4-CYANO-4-(3-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,4R)-1-(CIS-4-CYANO-4-(3-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=CC(F)=C4

InChI

InChIKey=AAOBTMAQQWQPRK-KYTRFIICSA-N

InChI=1S/C26H29FN2O2/c1-19-17-29(15-14-26(19,24(30)31)20-6-3-2-4-7-20)23-10-12-25(18-28,13-11-23)21-8-5-9-22(27)16-21/h2-9,16,19,23H,10-15,17H2,1H3,(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 `Wed Apr 02 04:13:53 GMT 2025` Edited by `admin` on `Wed Apr 02 04:13:53 GMT 2025`
Record UNII	Y84QHU83UG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

LEVOCABASTINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Preferred Name

English

Code System Code Type Description

FDA UNII

Y84QHU83UG

Created by admin on Wed Apr 02 04:13:53 GMT 2025 , Edited by admin on Wed Apr 02 04:13:53 GMT 2025

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Related Record Type Details


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LEVOCABASTINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: