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Details

Stereochemistry MIXED
Molecular Formula C12H14O3
Molecular Weight 206.2382
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(CCC1c2ccccc2C(=O)O1)O

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

Molecular Formula C12H14O3
Molecular Weight 206.2382
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:32:24 UTC 2021
Edited
by admin
on Sat Jun 26 15:32:24 UTC 2021
Record UNII
HZG40L5A88
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1(3H)-ISOBENZOFURANONE, 3-(3-HYDROXYBUTYL)-
Systematic Name English
3-(3-HYDROXYBUTYL)-1(3H)-ISOBENZOFURANONE
Systematic Name English
BUTYLPHTHALIDE METABOLITE M3-2
Common Name English
Code System Code Type Description
CAS
162050-43-3
Created by admin on Sat Jun 26 15:32:24 UTC 2021 , Edited by admin on Sat Jun 26 15:32:24 UTC 2021
PRIMARY
FDA UNII
HZG40L5A88
Created by admin on Sat Jun 26 15:32:24 UTC 2021 , Edited by admin on Sat Jun 26 15:32:24 UTC 2021
PRIMARY
PUBCHEM
11579344
Created by admin on Sat Jun 26 15:32:24 UTC 2021 , Edited by admin on Sat Jun 26 15:32:24 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

SINGLE DOSE ADMINISTRATION

Tmax PHARMACOKINETIC SINGLE DOSE ADMINISTRATION

ORAL ADMINISTRATION