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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12N4O4.CH4O3S
Molecular Weight 324.311
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECITABINE MESYLATE

SMILES

CS(O)(=O)=O.NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2

InChI

InChIKey=CLSXTOVZZQEQIL-FPKZOZHISA-N
InChI=1S/C8H12N4O4.CH4O3S/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6;1-5(2,3)4/h3-6,13-14H,1-2H2,(H2,9,11,15);1H3,(H,2,3,4)/t4-,5+,6+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DECITABINE MESYLATE
Common Name English
1,3,5-TRIAZIN-2(1H)-ONE, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-, MONOMETHANESULFONATE
Common Name English
Code System Code Type Description
CAS
879492-57-6
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY
PUBCHEM
11631196
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY
FDA UNII
6U3LPL9PRN
Created by admin on Sat Dec 16 09:59:18 GMT 2023 , Edited by admin on Sat Dec 16 09:59:18 GMT 2023
PRIMARY