CABASTINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H29FN2O2
Molecular Weight	420.5191
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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-KYTRFIICSA-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 `Fri Dec 15 17:42:15 UTC 2023` Edited by `admin` on `Fri Dec 15 17:42:15 UTC 2023`
Record UNII	COU3RRH769
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CABASTINE

Official Name

English

cabastine [INN]

Common Name

English

(±)-TRANS-1-(CIS-4-CYANO-4-(P-FLUOROPHENYL)CYCLOHEXYL)-3-METHYL-4-PHENYLISONIPECOTIC ACID

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29578