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Details

Stereochemistry MIXED
Molecular Formula C12H14O3
Molecular Weight 206.2378
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1(3H)-ISOBENZOFURANONE, 3-(3-HYDROXYBUTYL)-

SMILES

CC(O)CCC1OC(=O)C2=C1C=CC=C2

InChI

InChIKey=BOPXPQRBGFXGQN-UHFFFAOYSA-N
InChI=1S/C12H14O3/c1-8(13)6-7-11-9-4-2-3-5-10(9)12(14)15-11/h2-5,8,11,13H,6-7H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1(3H)-ISOBENZOFURANONE, 3-(3-HYDROXYBUTYL)-
Systematic Name English
BUTYLPHTHALIDE METABOLITE M3-2
Preferred Name English
3-(3-HYDROXYBUTYL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
Code System Code Type Description
CAS
162050-43-3
Created by admin on Wed Apr 02 07:11:41 GMT 2025 , Edited by admin on Wed Apr 02 07:11:41 GMT 2025
PRIMARY
FDA UNII
HZG40L5A88
Created by admin on Wed Apr 02 07:11:41 GMT 2025 , Edited by admin on Wed Apr 02 07:11:41 GMT 2025
PRIMARY
PUBCHEM
11579344
Created by admin on Wed Apr 02 07:11:41 GMT 2025 , Edited by admin on Wed Apr 02 07:11:41 GMT 2025
PRIMARY
PARENT (METABOLITE)
Structure of BUTYLPHTHALIDE
NIH
NCATS
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