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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20O5
Molecular Weight 280.3163
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-

SMILES

CC1=C(OCCCC(C)(C)C(O)=O)C=C(C=C1)C(O)=O

InChI

InChIKey=MOMCEAQWBWEIJV-UHFFFAOYSA-N
InChI=1S/C15H20O5/c1-10-5-6-11(13(16)17)9-12(10)20-8-4-7-15(2,3)14(18)19/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)(H,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BENZOIC ACID, 3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYL-
Systematic Name English
GEMFIBROZIL METABOLITE M3
Common Name English
3-((4-CARBOXY-4-METHYLPENTYL)OXY)-4-METHYLBENZOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
88118
Created by admin on Sat Dec 16 18:01:22 GMT 2023 , Edited by admin on Sat Dec 16 18:01:22 GMT 2023
PRIMARY
CAS
63257-54-5
Created by admin on Sat Dec 16 18:01:22 GMT 2023 , Edited by admin on Sat Dec 16 18:01:22 GMT 2023
PRIMARY
FDA UNII
LDQ3U23BAB
Created by admin on Sat Dec 16 18:01:22 GMT 2023 , Edited by admin on Sat Dec 16 18:01:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID00979303
Created by admin on Sat Dec 16 18:01:22 GMT 2023 , Edited by admin on Sat Dec 16 18:01:22 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of GEMFIBROZIL
NIH
NCATS
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