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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H8O5
Molecular Weight 184.1464
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDROXYMANDELIC ACID, (R)-

SMILES

c1cc(c(cc1[C@]([H])(C(=O)O)O)O)O

InChI

InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-N
InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H8O5
Molecular Weight 184.1464
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 04:15:17 UTC 2021
Edited
by admin
on Sat Jun 26 04:15:17 UTC 2021
Record UNII
M8Q69OD5W1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIHYDROXYMANDELIC ACID, (R)-
Common Name English
BENZENEACETIC ACID, .ALPHA.,3,4-TRIHYDROXY-, (R)-
Systematic Name English
(-)-3,4-DIHYDROXYMANDELIC ACID
Common Name English
BENZENEACETIC ACID, .ALPHA.,3,4-TRIHYDROXY-, (.ALPHA.R)-
Systematic Name English
(R)-2-(3,4-DIHYDROXYPHENYL)-2-HYDROXYACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
M8Q69OD5W1
Created by admin on Sat Jun 26 04:15:17 UTC 2021 , Edited by admin on Sat Jun 26 04:15:17 UTC 2021
PRIMARY
PUBCHEM
6950181
Created by admin on Sat Jun 26 04:15:17 UTC 2021 , Edited by admin on Sat Jun 26 04:15:17 UTC 2021
PRIMARY
CAS
64998-15-8
Created by admin on Sat Jun 26 04:15:17 UTC 2021 , Edited by admin on Sat Jun 26 04:15:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE INACTIVE
Unit: percent of tritium in the urine; See table 1 in the source document.
IN-VIVO
URINE