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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H11NO3.ClH
Molecular Weight 169.607
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-METHYLTHREONINE HYDROCHLORIDE

SMILES

Cl.CO[C@H](C)[C@H](N)C(O)=O

InChI

InChIKey=ULHJIEBDHBDYQD-HJXLNUONSA-N
InChI=1S/C5H11NO3.ClH/c1-3(9-2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H,7,8);1H/t3-,4+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C5H11NO3
Molecular Weight 133.1457
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:29:21 GMT 2023
Edited
by admin
on Sat Dec 16 01:29:21 GMT 2023
Record UNII
1ZC688K8MC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-METHYLTHREONINE HYDROCHLORIDE
Systematic Name English
L-THREONINE, O-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
BUTYRIC ACID, 2-AMINO-3-METHOXY-, HYDROCHLORIDE
Systematic Name English
L-THREONINE, O-METHYL-, MONOHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
1ZC688K8MC
Created by admin on Sat Dec 16 01:29:21 GMT 2023 , Edited by admin on Sat Dec 16 01:29:21 GMT 2023
PRIMARY
PUBCHEM
91825782
Created by admin on Sat Dec 16 01:29:21 GMT 2023 , Edited by admin on Sat Dec 16 01:29:21 GMT 2023
PRIMARY
CAS
854431-00-8
Created by admin on Sat Dec 16 01:29:21 GMT 2023 , Edited by admin on Sat Dec 16 01:29:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE