ETRASIMOD METABOLITE M6

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H24F3NO4
Molecular Weight	471.4683
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C[C@H]1CCC2=C1NC3=CC=C(OCC4=CC(=C(C=C4)C5CCC(=O)C5)C(F)(F)F)C=C23

InChI

InChIKey=XSCGHFUUPBFGJV-OEMAIJDKSA-N

InChI=1S/C26H24F3NO4/c27-26(28,29)22-9-14(1-6-19(22)15-2-4-17(31)10-15)13-34-18-5-8-23-21(12-18)20-7-3-16(11-24(32)33)25(20)30-23/h1,5-6,8-9,12,15-16,30H,2-4,7,10-11,13H2,(H,32,33)/t15?,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ETRASIMOD METABOLITE M6

Common Name

English

CYCLOPENT(B)INDOLE-3-ACETIC ACID, 1,2,3,4-TETRAHYDRO-7-((4-((1RS)-3-OXOCYCLOPENTYL)-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)-, (3R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

3B5VKU5F9L

Created by admin on Sat Dec 16 18:51:20 GMT 2023 , Edited by admin on Sat Dec 16 18:51:20 GMT 2023

PRIMARY

PUBCHEM

165412110

Created by admin on Sat Dec 16 18:51:20 GMT 2023 , Edited by admin on Sat Dec 16 18:51:20 GMT 2023

PRIMARY

PARENT (METABOLITE)


					6WH8495MMH

ETRASIMOD

SUBSTANCE RECORD


					3B5VKU5F9L

ETRASIMOD METABOLITE M6