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Details

Stereochemistry RACEMIC
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOPROPYLPENTANOIC ACID

SMILES

CCCC(C(C)C)C(O)=O

InChI

InChIKey=ODPKTGAWWHZBOY-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-4-5-7(6(2)3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)

HIDE SMILES / InChI
Molecular Formula C8H16O2
Molecular Weight 144.2114
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
The effects of central nervous system-active valproic acid constitutional isomers, cyclopropyl analogs, and amide derivatives on neuronal growth cone behavior.
2007 Mar
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:56:36 GMT 2025
Edited
by admin
on Mon Mar 31 22:56:36 GMT 2025
Record UNII
2B1J2157CO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOPROPYLPENTANOIC ACID
Systematic Name English
VALPROIC ACID RELATED COMPOUND B
USP   USP-RS  
Preferred Name English
VALPROIC ACID RELATED COMPOUND B [USP-RS]
Common Name English
2-ISOPROPYLVALERIC ACID
Systematic Name English
PENTANOIC ACID, 2-(1-METHYLETHYL)-
Common Name English
VALPROIC ACID RELATED COMPOUND B [USP IMPURITY]
Common Name English
VALPROIC ACID IMPURITY C [EP IMPURITY]
Common Name English
2-ISOPROPYL PENTANOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
147513
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
RS_ITEM_NUM
1708718
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID70881262
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
CAS
62391-99-5
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
ECHA (EC/EINECS)
263-529-8
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
FDA UNII
2B1J2157CO
Created by admin on Mon Mar 31 22:56:36 GMT 2025 , Edited by admin on Mon Mar 31 22:56:36 GMT 2025
PRIMARY
Related Record Type Details
Structure of 2-ISOPROPYLPENTANOIC ACID, (R)-
ENANTIOMER -> RACEMATE
Structure of 2-ISOPROPYLPENTANOIC ACID, (S)-
ENANTIOMER -> RACEMATE
Related Record Type Details
Structure of VALPROIC ACID
PARENT -> IMPURITY
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