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

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

Structure Search

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

Molecular Formula	C22H18Cl2N4O6
Molecular Weight	505.308
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 `Sat Dec 16 19:52:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:07 GMT 2023`
Record UNII	QA87CSB8QS
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 19:52:07 GMT 2023

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CAS

1140891-02-6

Created by admin on Sat Dec 16 19:52:07 GMT 2023 , Edited by admin on Sat Dec 16 19:52:07 GMT 2023

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FDA UNII

QA87CSB8QS

Created by admin on Sat Dec 16 19:52:07 GMT 2023 , Edited by admin on Sat Dec 16 19:52:07 GMT 2023

PRIMARY