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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5NO5
Molecular Weight 183.1183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHELIDAMIC ACID

SMILES

OC(=O)C1=CC(=O)C=C(N1)C(O)=O

InChI

InChIKey=XTLJJHGQACAZMS-UHFFFAOYSA-N
InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C7H5NO5
Molecular Weight 183.1183
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 14:49:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:49:23 GMT 2023
Record UNII
1A59BH8SXE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHELIDAMIC ACID
Common Name English
2,6-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-4-OXO-
Systematic Name English
4-OXO-1,4-DIHYDROPYRIDINE-2,6-DICARBOXYLIC ACID
Systematic Name English
1,4-DIHYDRO-4-OXO-2,6-PYRIDINEDICARBOXYLIC ACID
Systematic Name English
NSC-3983
Code English
Code System Code Type Description
CAS
138-60-3
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
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NSC
3983
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-335-8
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
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FDA UNII
1A59BH8SXE
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
PRIMARY
PUBCHEM
8743
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID00160451
Created by admin on Sat Dec 16 14:49:23 GMT 2023 , Edited by admin on Sat Dec 16 14:49:23 GMT 2023
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