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

Details

Stereochemistry RACEMIC
Molecular Formula C11H10O5S.C6H6N2O
Molecular Weight 376.384
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MENADIONE NICOTINAMIDE BISULFITE

SMILES

NC(=O)C1=CC=CN=C1.CC2(CC(=O)C3=C(C=CC=C3)C2=O)S(O)(=O)=O

InChI

InChIKey=DRDSBZXTAXDLDZ-UHFFFAOYSA-N
InChI=1S/C11H10O5S.C6H6N2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;7-6(9)5-2-1-3-8-4-5/h2-5H,6H2,1H3,(H,14,15,16);1-4H,(H2,7,9)

HIDE SMILES / InChI

Molecular Formula C11H10O5S
Molecular Weight 254.259
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C6H6N2O
Molecular Weight 122.1246
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 14:13:40 GMT 2023
Edited
by admin
on Sat Dec 16 14:13:40 GMT 2023
Record UNII
XI3RCW71NC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MENADIONE NICOTINAMIDE BISULFITE
Common Name English
2-NAPHTHALENESULFONIC ACID, 1,2,3,4-TETRAHYDRO-2-METHYL-1,4-DIOXO-, COMPD. WITH 3-PYRIDINECARBOXAMIDE (1:1)
Common Name English
METHYL1,4-DIOXO-2,3-DIHYDRONAPHTHALENE-2-SULFONATE, PYRIDINE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
277-543-7
Created by admin on Sat Dec 16 14:13:40 GMT 2023 , Edited by admin on Sat Dec 16 14:13:40 GMT 2023
PRIMARY
FDA UNII
XI3RCW71NC
Created by admin on Sat Dec 16 14:13:40 GMT 2023 , Edited by admin on Sat Dec 16 14:13:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID50994369
Created by admin on Sat Dec 16 14:13:40 GMT 2023 , Edited by admin on Sat Dec 16 14:13:40 GMT 2023
PRIMARY
PUBCHEM
12051328
Created by admin on Sat Dec 16 14:13:40 GMT 2023 , Edited by admin on Sat Dec 16 14:13:40 GMT 2023
PRIMARY
CAS
73581-79-0
Created by admin on Sat Dec 16 14:13:40 GMT 2023 , Edited by admin on Sat Dec 16 14:13:40 GMT 2023
PRIMARY