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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO2
Molecular Weight 163.1733
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTIANIDINE

SMILES

CC1=CC2=C(C=N1)C(=O)OCC2

InChI

InChIKey=KFJQLAOTTSPBMT-UHFFFAOYSA-N
InChI=1S/C9H9NO2/c1-6-4-7-2-3-12-9(11)8(7)5-10-6/h4-5H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H9NO2
Molecular Weight 163.1733
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 Fri Dec 15 20:16:00 GMT 2023
Edited
by admin
on Fri Dec 15 20:16:00 GMT 2023
Record UNII
35G857GZ2P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GENTIANIDINE
Common Name English
NSC-627383
Code English
6-METHYL-3,4-DIHYDRO-1H-PYRANO(3,4-C)PYRIDIN-1-ONE
Systematic Name English
NICOTINIC ACID, 4-(2-HYDROXYETHYL)-6-METHYL-, .DELTA.-LACTONE
Common Name English
1H-PYRANO(3,4-C)PYRIDIN-1-ONE, 3,4-DIHYDRO-6-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
35G857GZ2P
Created by admin on Fri Dec 15 20:16:00 GMT 2023 , Edited by admin on Fri Dec 15 20:16:00 GMT 2023
PRIMARY
CAS
2202-12-2
Created by admin on Fri Dec 15 20:16:00 GMT 2023 , Edited by admin on Fri Dec 15 20:16:00 GMT 2023
PRIMARY
PUBCHEM
362908
Created by admin on Fri Dec 15 20:16:00 GMT 2023 , Edited by admin on Fri Dec 15 20:16:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID90176485
Created by admin on Fri Dec 15 20:16:00 GMT 2023 , Edited by admin on Fri Dec 15 20:16:00 GMT 2023
PRIMARY
NSC
627383
Created by admin on Fri Dec 15 20:16:00 GMT 2023 , Edited by admin on Fri Dec 15 20:16:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT