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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H18Cl2N4O6
Molecular Weight 505.308
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-α-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

SMILES

NC1=NC(=O)N(C=N1)[C@@H]2C[C@H](OC(=O)C3=CC=C(Cl)C=C3)[C@@H](COC(=O)C4=CC=C(Cl)C=C4)O2

InChI

InChIKey=TWEZWUPSUOJPMB-KSZLIROESA-N
InChI=1S/C22H18Cl2N4O6/c23-14-5-1-12(2-6-14)19(29)32-10-17-16(34-20(30)13-3-7-15(24)8-4-13)9-18(33-17)28-11-26-21(25)27-22(28)31/h1-8,11,16-18H,9-10H2,(H2,25,27,31)/t16-,17+,18-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-α-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one
Systematic Name English
Decitabine Related Compound C
Common Name English
alpha-Decitabine-3',5'-bis(4-chlorobenzoate)
Common Name English
1,3,5-Triazin-2(1H)-one, 4-amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-α-D-erythro-pentofuranosyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
67534037
Created by admin on Sat Dec 16 19:52:07 UTC 2023 , Edited by admin on Sat Dec 16 19:52:07 UTC 2023
PRIMARY
CAS
1140891-02-6
Created by admin on Sat Dec 16 19:52:07 UTC 2023 , Edited by admin on Sat Dec 16 19:52:07 UTC 2023
PRIMARY
FDA UNII
QA87CSB8QS
Created by admin on Sat Dec 16 19:52:07 UTC 2023 , Edited by admin on Sat Dec 16 19:52:07 UTC 2023
PRIMARY