Registration Dossier

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid hydrochloride hydrate
Synonyms
Names:
Identifier:
CAS number
5486-79-3
Identifier:
IUPAC name
(2S)-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;hydrochloride
Identifier:
common name
Dimethyl Methyldopa
Identifier:
other: Molecular formula
C12H18ClNO4
Identifier:
other: SMILES notation
CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N.Cl
Identifier:
other: InChl
InChI=1S/C12H17NO4.ClH/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3;/h4-6H,7,13H2,1-3H3,(H,14,15);1H/t12-;/m0./s1

CAS information

CAS number:
5486-79-3

Related substances

Identifiers of related substances
Identifier:
EC number
Identity:
611-205-5

Molecular and structural information

Molecular formula:
C12H20ClNO5
Molecular weight:
293.74
SMILES notation:
Cl.O.COc1cc(ccc1OC)CC(C)(N)C(=O)O
InChl:
InChI=1/C12H17NO4.ClH.H2O/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3;;/h4-6H,7,13H2,1-3H3,(H,14,15);1H;1H2
Structural formula:
Chemical structure