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Details

Stereochemistry RACEMIC
Molecular Formula C10H13NO4.ClH
Molecular Weight 247.675
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-O-METHYLDOPA HYDROCHLORIDE, DL-

SMILES

Cl.COC1=CC(CC(N)C(O)=O)=CC=C1O

InChI

InChIKey=UNETXNZYVGKTSS-UHFFFAOYSA-N
InChI=1S/C10H13NO4.ClH/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);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H13NO4
Molecular Weight 211.2145
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:22:24 UTC 2023
Edited
by admin
on Sat Dec 16 10:22:24 UTC 2023
Record UNII
8E0B93CGAB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-O-METHYLDOPA HYDROCHLORIDE, DL-
Common Name English
TYROSINE, 3-METHOXY-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
13206353
Created by admin on Sat Dec 16 10:22:24 UTC 2023 , Edited by admin on Sat Dec 16 10:22:24 UTC 2023
PRIMARY
FDA UNII
8E0B93CGAB
Created by admin on Sat Dec 16 10:22:24 UTC 2023 , Edited by admin on Sat Dec 16 10:22:24 UTC 2023
PRIMARY
CAS
91013-37-5
Created by admin on Sat Dec 16 10:22:24 UTC 2023 , Edited by admin on Sat Dec 16 10:22:24 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE