U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N2O4
Molecular Weight 220.1815
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HARMINIC ACID

SMILES

CC1=NC=CC2=C1NC(C(O)=O)=C2C(O)=O

InChI

InChIKey=KPYWCLUGLOZYCO-UHFFFAOYSA-N
InChI=1S/C10H8N2O4/c1-4-7-5(2-3-11-4)6(9(13)14)8(12-7)10(15)16/h2-3,12H,1H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula C10H8N2O4
Molecular Weight 220.1815
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 07:54:27 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:27 GMT 2023
Record UNII
04QI0R19U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HARMINIC ACID
Common Name English
1H-PYRROLO(2,3-C)PYRIDINE-2,3-DICARBOXYLIC ACID, 7-METHYL-
Systematic Name English
7-METHYL-1H-PYRROLO(2,3-C)PYRIDINE-2,3-DICARBOXYLIC ACID
Systematic Name English
NSC-108043
Code English
Code System Code Type Description
EPA CompTox
DTXSID90207521
Created by admin on Sat Dec 16 07:54:27 GMT 2023 , Edited by admin on Sat Dec 16 07:54:27 GMT 2023
PRIMARY
CAS
58795-15-6
Created by admin on Sat Dec 16 07:54:27 GMT 2023 , Edited by admin on Sat Dec 16 07:54:27 GMT 2023
PRIMARY
PUBCHEM
5380963
Created by admin on Sat Dec 16 07:54:27 GMT 2023 , Edited by admin on Sat Dec 16 07:54:27 GMT 2023
PRIMARY
NSC
108043
Created by admin on Sat Dec 16 07:54:27 GMT 2023 , Edited by admin on Sat Dec 16 07:54:27 GMT 2023
PRIMARY
FDA UNII
04QI0R19U7
Created by admin on Sat Dec 16 07:54:27 GMT 2023 , Edited by admin on Sat Dec 16 07:54:27 GMT 2023
PRIMARY