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=C2C=C(OCC4=CC(=C(C=C4)C5CCC(=O)C5)C(F)(F)F)C=C3

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

Molecular Formula	C26H24F3NO4
Molecular Weight	471.4683
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:25:39 GMT 2025` Edited by `admin` on `Wed Apr 02 12:25:39 GMT 2025`
Record UNII	3B5VKU5F9L
Record Status	`Validated (UNII)`
Record Version

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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)-

Preferred Name

English

Code System Code Type Description

FDA UNII

3B5VKU5F9L

Created by admin on Wed Apr 02 12:25:39 GMT 2025 , Edited by admin on Wed Apr 02 12:25:39 GMT 2025

PRIMARY

PUBCHEM

165412110

Created by admin on Wed Apr 02 12:25:39 GMT 2025 , Edited by admin on Wed Apr 02 12:25:39 GMT 2025

PRIMARY

Related Record Type Details


					6WH8495MMH

ETRASIMOD

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: