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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H9N3O2
Molecular Weight 167.1653
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPINACINE

SMILES

OC(=O)[C@@H]1CC2=C(CN1)NC=N2

InChI

InChIKey=YCFJXOFFQLPCHD-YFKPBYRVSA-N
InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H9N3O2
Molecular Weight 167.1653
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 08:49:16 GMT 2023
Edited
by admin
on Sat Dec 16 08:49:16 GMT 2023
Record UNII
EG040ZE63K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SPINACINE
Common Name English
(S)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-D)PYRIDINE-6-CARBOXYLIC ACID
Systematic Name English
(-)-SPINACINE
Common Name English
L-SPINACINE
Common Name English
J20.474I
Code English
3H-IMIDAZO(4,5-C)PYRIDINE-6-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-, (6S)-
Systematic Name English
(S)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO(4,5-C)PYRIDINE-6-CARBOXYLIC ACID
Systematic Name English
(6S)-4,5,6,7-TETRAHYDRO-3H-IMIDAZO(4,5-C)PYRIDINE-6-CARBOXYLIC ACID
Systematic Name English
1H-IMIDAZO(4,5-C)PYRIDINE-6-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-, (S)-
Systematic Name English
4,5,6,7-TETRAHYDRO-3H-IMIDAZO(4,5-C)PYRIDINE-6.ALPHA.-CARBOXYLIC ACID
Systematic Name English
SPINACIN
Common Name English
Code System Code Type Description
FDA UNII
EG040ZE63K
Created by admin on Sat Dec 16 08:49:16 GMT 2023 , Edited by admin on Sat Dec 16 08:49:16 GMT 2023
PRIMARY
CAS
59981-63-4
Created by admin on Sat Dec 16 08:49:16 GMT 2023 , Edited by admin on Sat Dec 16 08:49:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID80208688
Created by admin on Sat Dec 16 08:49:16 GMT 2023 , Edited by admin on Sat Dec 16 08:49:16 GMT 2023
PRIMARY
PUBCHEM
162899
Created by admin on Sat Dec 16 08:49:16 GMT 2023 , Edited by admin on Sat Dec 16 08:49:16 GMT 2023
PRIMARY