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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H13NO2.C2H2O4.2H2O
Molecular Weight 293.2705
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METARAMINOL OXALATE DIHYDRATE

SMILES

O.O.OC(=O)C(O)=O.C[C@H](N)[C@H](O)C1=CC(O)=CC=C1

InChI

InChIKey=ZOXHALWFYAPXOI-OAOYEMARSA-N
InChI=1S/C9H13NO2.C2H2O4.2H2O/c1-6(10)9(12)7-3-2-4-8(11)5-7;3-1(4)2(5)6;;/h2-6,9,11-12H,10H2,1H3;(H,3,4)(H,5,6);2*1H2/t6-,9-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13NO2
Molecular Weight 167.205
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:32:09 GMT 2025
Edited
by admin
on Mon Mar 31 22:32:09 GMT 2025
Record UNII
24A9VNN4CA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(.ALPHA.R)-.ALPHA.-((1S)-1-AMINOETHYL)-3-HYDROXYBENZENEMETHANOL OXALATE DIHYDRATE
Preferred Name English
METARAMINOL OXALATE DIHYDRATE
MI  
Common Name English
METARAMINOL OXALATE DIHYDRATE [MI]
Common Name English
METARAMINOL OXALATE DIHYDRATE, (-)-
Common Name English
BENZENEMETHANOL, .ALPHA.-((1S)-1-AMINOETHYL)-3-HYDROXY-, (.ALPHA.R)-, ETHANEDIOATE, HYDRATE (1:1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
24A9VNN4CA
Created by admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
PRIMARY
PUBCHEM
72941470
Created by admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
PRIMARY
CAS
5967-53-3
Created by admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
PRIMARY
MERCK INDEX
m7273
Created by admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID60975068
Created by admin on Mon Mar 31 22:32:09 GMT 2025 , Edited by admin on Mon Mar 31 22:32:09 GMT 2025
PRIMARY