U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12O4
Molecular Weight 184.1895
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-4-HYDROXYPHENYLGLYCOL, (-)-

SMILES

COc1cc(ccc1O)[C@]([H])(CO)O

InChI

InChIKey=FBWPWWWZWKPJFL-QMMMGPOBSA-N
InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H12O4
Molecular Weight 184.1895
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:43:52 UTC 2021
Edited
by admin
on Sat Jun 26 13:43:52 UTC 2021
Record UNII
Z02B4Y02FV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-4-HYDROXYPHENYLGLYCOL, (-)-
Common Name English
1,2-ETHANEDIOL, 1-(4-HYDROXY-3-METHOXYPHENYL)-, (1R)-
Systematic Name English
(-)-4-HYDROXY-3-METHOXYPHENYLGLYCOL
Common Name English
D-(-)-3-METHOXY-4-HYDROXYPHENYLGLYCOL
Common Name English
D-3-METHOXY-4-HYDROXYPHENYLGLYCOL
Common Name English
DROXIDOPA METABOLITE (3-METHOXY-4-HYDROXYPHENYLGLYCOL, (-)-)
Common Name English
(R)-1-(4-HYDROXY-3-METHOXYPHENYL)ETHANE-1,2-DIOL
Systematic Name English
1,2-ETHANEDIOL, 1-(4-HYDROXY-3-METHOXYPHENYL)-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
Z02B4Y02FV
Created by admin on Sat Jun 26 13:43:52 UTC 2021 , Edited by admin on Sat Jun 26 13:43:52 UTC 2021
PRIMARY
PUBCHEM
688030
Created by admin on Sat Jun 26 13:43:52 UTC 2021 , Edited by admin on Sat Jun 26 13:43:52 UTC 2021
PRIMARY
CAS
87171-18-4
Created by admin on Sat Jun 26 13:43:52 UTC 2021 , Edited by admin on Sat Jun 26 13:43:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Unit: percent of tritium in the urine; See table 1 in the source document.
IN-VIVO
URINE
PARENT -> METABOLITE