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Details

Stereochemistry RACEMIC
Molecular Formula C13H14O4
Molecular Weight 234.2479
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-PROPRANOLOL GLYCOL

SMILES

OCC(O)COC1=C2C=CC=CC2=C(O)C=C1

InChI

InChIKey=UHAWFCTWQCTVPI-UHFFFAOYSA-N
InChI=1S/C13H14O4/c14-7-9(15)8-17-13-6-5-12(16)10-3-1-2-4-11(10)13/h1-6,9,14-16H,7-8H2

HIDE SMILES / InChI

Molecular Formula C13H14O4
Molecular Weight 234.2479
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 Thu Jul 06 16:36:26 UTC 2023
Edited
by admin
on Thu Jul 06 16:36:26 UTC 2023
Record UNII
V376P00JP8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXY-PROPRANOLOL GLYCOL
Common Name English
1-((4-HYDROXY-1-NAPHTHALENYL)OXY)-2,3-PROPYLENEGLYCOL
Systematic Name English
1,2-PROPANEDIOL, 3-((4-HYDROXY-1-NAPHTHALENYL)OXY)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50957510
Created by admin on Thu Jul 06 16:36:26 UTC 2023 , Edited by admin on Thu Jul 06 16:36:26 UTC 2023
PRIMARY
FDA UNII
V376P00JP8
Created by admin on Thu Jul 06 16:36:26 UTC 2023 , Edited by admin on Thu Jul 06 16:36:26 UTC 2023
PRIMARY
PUBCHEM
3082441
Created by admin on Thu Jul 06 16:36:26 UTC 2023 , Edited by admin on Thu Jul 06 16:36:26 UTC 2023
PRIMARY
CAS
36112-96-6
Created by admin on Thu Jul 06 16:36:26 UTC 2023 , Edited by admin on Thu Jul 06 16:36:26 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> METABOLITE