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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16ClFN3O13P3
Molecular Weight 533.619
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALS-8112 triphosphate

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2O[C@](CCl)(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2F

InChI

InChIKey=IMNKEHCKAWMCAU-IBCQBUCCSA-N
InChI=1S/C10H16ClFN3O13P3/c11-3-10(4-25-30(21,22)28-31(23,24)27-29(18,19)20)7(16)6(12)8(26-10)15-2-1-5(13)14-9(15)17/h1-2,6-8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t6-,7+,8-,10-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALS-8112 triphosphate
Code English
Cytidine 5′-(tetrahydrogen triphosphate), 4′-C-(chloromethyl)-2′-deoxy-2′-fluoro-
Systematic Name English
Code System Code Type Description
PUBCHEM
71622503
Created by admin on Sat Dec 16 19:30:10 GMT 2023 , Edited by admin on Sat Dec 16 19:30:10 GMT 2023
PRIMARY
CAS
1445383-14-1
Created by admin on Sat Dec 16 19:30:10 GMT 2023 , Edited by admin on Sat Dec 16 19:30:10 GMT 2023
PRIMARY
FDA UNII
ZAA7YHM4C7
Created by admin on Sat Dec 16 19:30:10 GMT 2023 , Edited by admin on Sat Dec 16 19:30:10 GMT 2023
PRIMARY