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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H12N4O4.H2O
Molecular Weight 246.2206
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECITABINE MONOHYDRATE

SMILES

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

InChI

InChIKey=GIUIZQFORXTJKW-FPKZOZHISA-N
InChI=1S/C8H12N4O4.H2O/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6;/h3-6,13-14H,1-2H2,(H2,9,11,15);1H2/t4-,5+,6+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C8H12N4O4
Molecular Weight 228.2053
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
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 15:24:06 GMT 2023
Edited
by admin
on Sat Dec 16 15:24:06 GMT 2023
Record UNII
R5D4HY8O0O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECITABINE MONOHYDRATE
Common Name English
1,3,5-TRIAZIN-2(1H)-ONE, 4-AMINO-1-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)-, MONOHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
66601416
Created by admin on Sat Dec 16 15:24:06 GMT 2023 , Edited by admin on Sat Dec 16 15:24:06 GMT 2023
PRIMARY
CAS
135567-49-6
Created by admin on Sat Dec 16 15:24:06 GMT 2023 , Edited by admin on Sat Dec 16 15:24:06 GMT 2023
PRIMARY
FDA UNII
R5D4HY8O0O
Created by admin on Sat Dec 16 15:24:06 GMT 2023 , Edited by admin on Sat Dec 16 15:24:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC