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Details

Stereochemistry RACEMIC
Molecular Formula C5H7NO6.ClH
Molecular Weight 213.573
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CARBOXYASPARTIC ACID HYDROCHLORIDE

SMILES

Cl.NC(C(C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=MNEVVLALFZQEPA-UHFFFAOYSA-N
InChI=1S/C5H7NO6.ClH/c6-2(5(11)12)1(3(7)8)4(9)10;/h1-2H,6H2,(H,7,8)(H,9,10)(H,11,12);1H

HIDE SMILES / InChI

Molecular Formula C5H7NO6
Molecular Weight 177.1122
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 09:31:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:31:34 GMT 2023
Record UNII
659IL6287A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CARBOXYASPARTIC ACID HYDROCHLORIDE
Systematic Name English
.BETA.-CARBOXYASPARTIC ACID DL-FORM HYDROCHLORIDE [MI]
Common Name English
1,1,2-ETHANETRICARBOXYLIC ACID, 2-AMINO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
MERCK INDEX
m623
Created by admin on Sat Dec 16 09:31:34 GMT 2023 , Edited by admin on Sat Dec 16 09:31:34 GMT 2023
PRIMARY Merck Index
CAS
81156-58-3
Created by admin on Sat Dec 16 09:31:34 GMT 2023 , Edited by admin on Sat Dec 16 09:31:34 GMT 2023
PRIMARY
FDA UNII
659IL6287A
Created by admin on Sat Dec 16 09:31:34 GMT 2023 , Edited by admin on Sat Dec 16 09:31:34 GMT 2023
PRIMARY
PUBCHEM
85536918
Created by admin on Sat Dec 16 09:31:34 GMT 2023 , Edited by admin on Sat Dec 16 09:31:34 GMT 2023
PRIMARY