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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H19N2O7P
Molecular Weight 358.2836
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of α-Ribazole 5′-phosphate

SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O

InChI

InChIKey=ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H19N2O7P
Molecular Weight 358.2836
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:20:37 GMT 2023
Edited
by admin
on Sat Dec 16 15:20:37 GMT 2023
Record UNII
TT4G266KJN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
α-Ribazole 5′-phosphate
Common Name English
5,6-Dimethyl-1-(5-O-phosphono-α-D-ribofuranosyl)-1H-benzimidazole
Systematic Name English
1H-Benzimidazole, 5,6-dimethyl-1-(5-O-phosphono-α-D-ribofuranosyl)-
Systematic Name English
{[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10243007
Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023
PRIMARY
FDA UNII
TT4G266KJN
Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023
PRIMARY
PUBCHEM
444941
Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023
PRIMARY
CAS
975-91-7
Created by admin on Sat Dec 16 15:20:37 GMT 2023 , Edited by admin on Sat Dec 16 15:20:37 GMT 2023
PRIMARY