Decitabine 3?-(4-chlorobenzoate)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H15ClN4O5
Molecular Weight	366.756
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Decitabine 3?-(4-chlorobenzoate)

Structure Search

SMILES

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

InChI

InChIKey=PYHVFGPDLZGVBG-QJPTWQEYSA-N

InChI=1S/C15H15ClN4O5/c16-9-3-1-8(2-4-9)13(22)25-10-5-12(24-11(10)6-21)20-7-18-14(17)19-15(20)23/h1-4,7,10-12,21H,5-6H2,(H2,17,19,23)/t10-,11+,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H15ClN4O5
Molecular Weight	366.756
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:31 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:31 GMT 2025`
Record UNII	DY4N5F8EJR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3,5-Triazin-2(1H)-one, 4-amino-1-[3-O-(4-chlorobenzoyl)-2-deoxy-?-D-erythro-pentofuranosyl]-

Preferred Name

English

Decitabine 3?-(4-chlorobenzoate)

Common Name

English

4-Amino-1-[3-O-(4-chlorobenzoyl)-2-deoxy-?-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one

Systematic Name

English

Code System Code Type Description

CAS

1442660-66-3

Created by admin on Wed Apr 02 19:48:31 GMT 2025 , Edited by admin on Wed Apr 02 19:48:31 GMT 2025

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FDA UNII

DY4N5F8EJR

Created by admin on Wed Apr 02 19:48:31 GMT 2025 , Edited by admin on Wed Apr 02 19:48:31 GMT 2025

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