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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H15N3O6P2
Molecular Weight 311.1687
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(DIMETHYLAMINO)-1-(2,2-DIPHOSPHONOETHYL)PYRAZINIUM

SMILES

CN(C)C1=NC=C[N+](CC(P(O)(O)=O)P(O)([O-])=O)=C1

InChI

InChIKey=GQLKKEUNWLRAQM-UHFFFAOYSA-N
InChI=1S/C8H15N3O6P2/c1-10(2)7-5-11(4-3-9-7)6-8(18(12,13)14)19(15,16)17/h3-5,8H,6H2,1-2H3,(H3-,12,13,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C8H15N3O6P2
Molecular Weight 311.1687
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:31:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:10 GMT 2023
Record UNII
K40SCB28W9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(DIMETHYLAMINO)-1-(2,2-DIPHOSPHONOETHYL)PYRAZINIUM
Common Name English
VS-6
Code English
PYRAZINIUM, 3-(DIMETHYLAMINO)-1-(2,2-DIPHOSPHONOETHYL)-, INNER SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
10448149
Created by admin on Sat Dec 16 08:31:10 GMT 2023 , Edited by admin on Sat Dec 16 08:31:10 GMT 2023
PRIMARY
FDA UNII
K40SCB28W9
Created by admin on Sat Dec 16 08:31:10 GMT 2023 , Edited by admin on Sat Dec 16 08:31:10 GMT 2023
PRIMARY
CAS
203264-12-4
Created by admin on Sat Dec 16 08:31:10 GMT 2023 , Edited by admin on Sat Dec 16 08:31:10 GMT 2023
PRIMARY