(3S,4R)-1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-4-(3-HYDROXYPHENYL)-3-METHYLPIPERIDINE-4-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29FN2O3
Molecular Weight	436.5185
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-(4-FLUOROPHENYL)CYCLOHEXYL)-4-(3-HYDROXYPHENYL)-3-METHYLPIPERIDINE-4-CARBOXYLIC ACID

Structure Search

SMILES

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

InChI

InChIKey=GODFQHLSQHSBBY-SAHUUAETSA-N

InChI=1S/C26H29FN2O3/c1-18-16-29(14-13-26(18,24(31)32)20-3-2-4-23(30)15-20)22-9-11-25(17-28,12-10-22)19-5-7-21(27)8-6-19/h2-8,15,18,22,30H,9-14,16H2,1H3,(H,31,32)/t18-,22-,25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H29FN2O3
Molecular Weight	436.5185
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 14:45:44 UTC 2023` Edited by `admin` on `Sat Dec 16 14:45:44 UTC 2023`
Record UNII	BRG2XE83X3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3S,4R)-1-(CIS-4-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXYL)-4-(3-HYDROXYPHENYL)-3-METHYLPIPERIDINE-4-CARBOXYLIC ACID

Systematic Name

English

LEVOCABASTINE HYDROCHLORIDE IMPURITY J [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

BRG2XE83X3

Created by admin on Sat Dec 16 14:45:44 UTC 2023 , Edited by admin on Sat Dec 16 14:45:44 UTC 2023

PRIMARY

Related Record Type Details


					124XMA6YEI

LEVOCABASTINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: