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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO4.H2O
Molecular Weight 229.2298
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLDOPA MONOHYDRATE

SMILES

O.COC1=CC(C[C@H](N)C(O)=O)=CC=C1O

InChI

InChIKey=IDRRCKUGGXLORG-FJXQXJEOSA-N
InChI=1S/C10H13NO4.H2O/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14;/h2-3,5,7,12H,4,11H2,1H3,(H,13,14);1H2/t7-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-O-METHYLDOPA MONOHYDRATE
Common Name English
L-TYROSINE, 3-METHOXY-, MONOHYDRATE
Systematic Name English
3-O-METHYLLEVODOPA MONOHYDRATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201036109
Created by admin on Sat Dec 16 11:10:31 UTC 2023 , Edited by admin on Sat Dec 16 11:10:31 UTC 2023
PRIMARY
FDA UNII
3BBS8L56CX
Created by admin on Sat Dec 16 11:10:31 UTC 2023 , Edited by admin on Sat Dec 16 11:10:31 UTC 2023
PRIMARY
CAS
200630-46-2
Created by admin on Sat Dec 16 11:10:31 UTC 2023 , Edited by admin on Sat Dec 16 11:10:31 UTC 2023
PRIMARY
PUBCHEM
46782236
Created by admin on Sat Dec 16 11:10:31 UTC 2023 , Edited by admin on Sat Dec 16 11:10:31 UTC 2023
PRIMARY