(3R)-1,2,3,4-Tetrahydro-7-[[4-[(1R,3R)-3-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]cyclopent[b]indole-3-acetic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H26F3NO4
Molecular Weight	473.4841
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	relative stereochemistry on cyclopentyl ring

SHOW SMILES / InChI

Structure of (3R)-1,2,3,4-Tetrahydro-7-[[4-[(1R,3R)-3-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]cyclopent[b]indole-3-acetic acid

Structure Search

SMILES

O[C@@H]1CC[C@H](C1)C2=C(C=C(COC3=CC4=C(NC5=C4CC[C@@H]5CC(O)=O)C=C3)C=C2)C(F)(F)F

InChI

InChIKey=YBEZYOAWFBWNOH-BRWVUGGUSA-N

InChI=1S/C26H26F3NO4/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/h1,5-6,8-9,12,15-17,30-31H,2-4,7,10-11,13H2,(H,32,33)/t15-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H26F3NO4
Molecular Weight	473.4841
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:52:30 GMT 2025` Edited by `admin` on `Wed Apr 02 20:52:30 GMT 2025`
Record UNII	WC879S8GV7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R)-1,2,3,4-Tetrahydro-7-[[4-[(1R,3R)-3-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]cyclopent[b]indole-3-acetic acid

Systematic Name

English

AR5-03640

Preferred Name

English

Cyclopent[b]indole-3-acetic acid, 1,2,3,4-tetrahydro-7-[[4-[(1R,3R)-3-hydroxycyclopentyl]-3-(trifluoromethyl)phenyl]methoxy]-, (3R)-

Systematic Name

English

ETRASIMOD METABOLITE M2

Common Name

English

AR503640

Code

English

Code System Code Type Description

PUBCHEM

153543818

Created by admin on Wed Apr 02 20:52:30 GMT 2025 , Edited by admin on Wed Apr 02 20:52:30 GMT 2025

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FDA UNII

WC879S8GV7

Created by admin on Wed Apr 02 20:52:30 GMT 2025 , Edited by admin on Wed Apr 02 20:52:30 GMT 2025

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CAS

2412763-71-2

Created by admin on Wed Apr 02 20:52:30 GMT 2025 , Edited by admin on Wed Apr 02 20:52:30 GMT 2025

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Related Record Type Details


					6WH8495MMH

ETRASIMOD

PARENT -> METABOLITE

Qualification:

FECAL

Amount: