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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO4
Molecular Weight 239.2677
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-O,.ALPHA.-DIMETHYL-L-TYROSINE

SMILES

COC1=CC=C(C[C@](C)(N)C(O)=O)C=C1OC

InChI

InChIKey=QCCQWLWXLUTSAK-LBPRGKRZSA-N
InChI=1S/C12H17NO4/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)/t12-/m0/s1

HIDE SMILES / InChI
Molecular Formula C12H17NO4
Molecular Weight 239.2677
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 11:49:02 GMT 2025
Edited
by admin
on Wed Apr 02 11:49:02 GMT 2025
Record UNII
X099OP8549
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DIMETHOXYMETHYLDOPA
Preferred Name English
3-METHOXY-O,.ALPHA.-DIMETHYL-L-TYROSINE
Systematic Name English
METHYLDOPA RELATED COMPOUND C [USP IMPURITY]
Common Name English
(2S)-2-AMINO-3-(3,4-DIMETHOXYPHENYL)-2-METHYLPROPANOIC ACID
Systematic Name English
METHYLDOPA RELATED COMPOUND C [USP-RS]
Common Name English
L-TYROSINE, 3-METHOXY-O,.ALPHA.-DIMETHYL-
Systematic Name English
L-3,4-DIMETHOXY-.ALPHA.-METHYLPHENYLALANINE
Common Name English
METHYLDOPA IMPURITY C [EP IMPURITY]
Common Name English
3,4-O,O-DIMETHYLMETHYLDOPA
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
254-711-8
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
CAS
39948-18-0
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
PUBCHEM
195139
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID90960462
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
RS_ITEM_NUM
1427038
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
FDA UNII
X099OP8549
Created by admin on Wed Apr 02 11:49:02 GMT 2025 , Edited by admin on Wed Apr 02 11:49:02 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-METHOXY-O,.ALPHA.-DIMETHYL-L-TYROSINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METHYLDOPA
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of METHYLDOPA
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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