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Details

Stereochemistry RACEMIC
Molecular Formula C10H12N2O3.H2O4S
Molecular Weight 306.292
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KYNURENINE SULFATE, DL-

SMILES

OS(O)(=O)=O.NC(CC(=O)C1=C(N)C=CC=C1)C(O)=O

InChI

InChIKey=KAXRWMOLNJZCEW-UHFFFAOYSA-N
InChI=1S/C10H12N2O3.H2O4S/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12N2O3
Molecular Weight 208.2139
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:59:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:59:55 GMT 2023
Record UNII
5X1LZN1B7T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KYNURENINE SULFATE, DL-
Common Name English
BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-.GAMMA.-OXO-, (±)-, SULFATE (1:1)
Systematic Name English
DL-KYNURENINE SULFATE [MI]
Common Name English
BENZENEBUTANOIC ACID, .ALPHA.,2-DIAMINO-.GAMMA.-OXO-, SULFATE (1:1)
Systematic Name English
KYNURENINE SULFATE, (±)-
Common Name English
ALANINE, 3-ANTHRANILOYL-, SULFATE (1:1), DL-
Common Name English
DL-KYNURENINE SULFATE
MI  
Common Name English
KYNURENINE SULPHATE, DL-
Common Name English
Code System Code Type Description
PUBCHEM
21123932
Created by admin on Sat Dec 16 09:59:55 GMT 2023 , Edited by admin on Sat Dec 16 09:59:55 GMT 2023
PRIMARY
MERCK INDEX
m6646
Created by admin on Sat Dec 16 09:59:55 GMT 2023 , Edited by admin on Sat Dec 16 09:59:55 GMT 2023
PRIMARY Merck Index
FDA UNII
5X1LZN1B7T
Created by admin on Sat Dec 16 09:59:55 GMT 2023 , Edited by admin on Sat Dec 16 09:59:55 GMT 2023
PRIMARY
CAS
2126-91-2
Created by admin on Sat Dec 16 09:59:55 GMT 2023 , Edited by admin on Sat Dec 16 09:59:55 GMT 2023
PRIMARY