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Details

Stereochemistry RACEMIC
Molecular Formula C12H12O4
Molecular Weight 220.2217
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOIC ACID

SMILES

c1ccc2c(c1)C(CCCC(=O)O)OC2=O

InChI

InChIKey=ZNPCTSQOTVUABI-UHFFFAOYSA-N
InChI=1S/C12H12O4/c13-11(14)7-3-6-10-8-4-1-2-5-9(8)12(15)16-10/h1-2,4-5,10H,3,6-7H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H12O4
Molecular Weight 220.2217
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:41:29 UTC 2021
Edited
by admin
on Fri Jun 25 22:41:29 UTC 2021
Record UNII
WPM6RDW2DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOIC ACID
Systematic Name English
1-ISOBENZOFURANBUTANOIC ACID, 1,3-DIHYDRO-3-OXO-
Systematic Name English
BUTYLPHTHALIDE METABOLITE M5-2
Common Name English
Code System Code Type Description
PUBCHEM
139522978
Created by admin on Fri Jun 25 22:41:29 UTC 2021 , Edited by admin on Fri Jun 25 22:41:29 UTC 2021
PRIMARY
FDA UNII
WPM6RDW2DS
Created by admin on Fri Jun 25 22:41:29 UTC 2021 , Edited by admin on Fri Jun 25 22:41:29 UTC 2021
PRIMARY
CAS
1485081-25-1
Created by admin on Fri Jun 25 22:41:29 UTC 2021 , Edited by admin on Fri Jun 25 22:41:29 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA; URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

SINGLE DOSE ADMINISTRATION

Biological Half-life PHARMACOKINETIC ORAL ADMINISTRATION

SINGLE DOSE ADMINISTRATION