3-(1-(4-Chlorobenzyl)-5-fluoro-3-methylindol-2-yl)-2,2-dimethylpropanoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21ClFNO2
Molecular Weight	373.848
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(1-(4-Chlorobenzyl)-5-fluoro-3-methylindol-2-yl)-2,2-dimethylpropanoic acid

Structure Search

SMILES

CC1=C(CC(C)(C)C(O)=O)N(CC2=CC=C(Cl)C=C2)C3=C1C=C(F)C=C3

InChI

InChIKey=JLPYLHLUHJOPNL-UHFFFAOYSA-N

InChI=1S/C21H21ClFNO2/c1-13-17-10-16(23)8-9-18(17)24(12-14-4-6-15(22)7-5-14)19(13)11-21(2,3)20(25)26/h4-10H,11-12H2,1-3H3,(H,25,26)

HIDE SMILES / InChI

Molecular Formula	C21H21ClFNO2
Molecular Weight	373.848
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
thromboxane A2 receptor 1 Target ID: 1.00717592E8 Gene Symbol: Tbxa2r Sources: https://www.ncbi.nlm.nih.gov/pubmed/3582493 \| https://www.ncbi.nlm.nih.gov/pubmed/1531361	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:16:30 GMT 2025` Edited by `admin` on `Wed Apr 02 07:16:30 GMT 2025`
Record UNII	N2DFC8C5K2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(1-(4-Chlorobenzyl)-5-fluoro-3-methylindol-2-yl)-2,2-dimethylpropanoic acid

Systematic Name

English

L-655240

Preferred Name

English

3-(1-((4-Chlorophenyl)methyl)-5-fluoranyl-3-methyl-indol-2-yl)-2,2-dimethyl-propanoic acid

Systematic Name

English

1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-5-fluoro-?,?,3-trimethyl-

Systematic Name

English

1-[(4-Chlorophenyl)methyl]-5-fluoro-?,?,3-trimethyl-1H-indole-2-propanoic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80908272

Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025

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PUBCHEM

122070

Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025

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CAS

103253-15-2

Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025

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FDA UNII

N2DFC8C5K2

Created by admin on Wed Apr 02 07:16:30 GMT 2025 , Edited by admin on Wed Apr 02 07:16:30 GMT 2025

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