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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H7NO6.ClH
Molecular Weight 213.573
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CARBOXYASPARTIC ACID HYDROCHLORIDE, (R)-

SMILES

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

InChI

InChIKey=MNEVVLALFZQEPA-HSHFZTNMSA-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/t2-;/m1./s1

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 C5H7NO6
Molecular Weight 177.1122
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 09:44:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:32 GMT 2023
Record UNII
66O6891TDU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CARBOXYASPARTIC ACID HYDROCHLORIDE, (R)-
Common Name English
1,1,2-ETHANETRICARBOXYLIC ACID, 2-AMINO-, HYDROCHLORIDE, (R)-
Common Name English
.BETA.-CARBOXYASPARTIC ACID D-FORM HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
13970639
Created by admin on Sat Dec 16 09:44:32 GMT 2023 , Edited by admin on Sat Dec 16 09:44:32 GMT 2023
PRIMARY
CAS
111934-05-5
Created by admin on Sat Dec 16 09:44:32 GMT 2023 , Edited by admin on Sat Dec 16 09:44:32 GMT 2023
PRIMARY
MERCK INDEX
m623
Created by admin on Sat Dec 16 09:44:32 GMT 2023 , Edited by admin on Sat Dec 16 09:44:32 GMT 2023
PRIMARY Merck Index
FDA UNII
66O6891TDU
Created by admin on Sat Dec 16 09:44:32 GMT 2023 , Edited by admin on Sat Dec 16 09:44:32 GMT 2023
PRIMARY