3-O-METHYLDOPA MONOHYDRATE

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 Search

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

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

Molecular Formula	C10H13NO4
Molecular Weight	211.2145
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:10:30 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:30 UTC 2023`
Record UNII	3BBS8L56CX
Record Status	`Validated (UNII)`
Record Version

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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

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