(3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXOCYCLOPENT(B)INDOLE-3-ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H17ClFNO5S
Molecular Weight	449.88
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXOCYCLOPENT(B)INDOLE-3-ACETIC ACID

Structure Search

SMILES

CS(=O)(=O)C1=CC(F)=CC2=C1N(CC3=CC=C(Cl)C=C3)C4=C2C(=O)C[C@@H]4CC(O)=O

InChI

InChIKey=LXXDCYUAFJJSGQ-GFCCVEGCSA-N

InChI=1S/C21H17ClFNO5S/c1-30(28,29)17-9-14(23)8-15-19-16(25)6-12(7-18(26)27)20(19)24(21(15)17)10-11-2-4-13(22)5-3-11/h2-5,8-9,12H,6-7,10H2,1H3,(H,26,27)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H17ClFNO5S
Molecular Weight	449.88
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:58:49 GMT 2025` Edited by `admin` on `Wed Apr 02 06:58:49 GMT 2025`
Record UNII	LI7K2MH2IJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MK-0524 METABOLITE M3

Preferred Name

English

(3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXOCYCLOPENT(B)INDOLE-3-ACETIC ACID

Systematic Name

English

CYCLOPENT(B)INDOLE-3-ACETIC ACID, 4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXO-, (3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11385386

Created by admin on Wed Apr 02 06:58:49 GMT 2025 , Edited by admin on Wed Apr 02 06:58:49 GMT 2025

PRIMARY

FDA UNII

LI7K2MH2IJ

Created by admin on Wed Apr 02 06:58:49 GMT 2025 , Edited by admin on Wed Apr 02 06:58:49 GMT 2025

PRIMARY

CAS

571170-95-1

Created by admin on Wed Apr 02 06:58:49 GMT 2025 , Edited by admin on Wed Apr 02 06:58:49 GMT 2025

PRIMARY

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