Decitabine Related Compound A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18Cl2O7
Molecular Weight	453.269
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Decitabine Related Compound A

Structure Search

SMILES

CC(=O)O[C@H]1C[C@H](OC(=O)C2=CC=C(Cl)C=C2)[C@@H](COC(=O)C3=CC=C(Cl)C=C3)O1

InChI

InChIKey=XHRJNOXRTTZFEQ-IPMKNSEASA-N

InChI=1S/C21H18Cl2O7/c1-12(24)28-19-10-17(30-21(26)14-4-8-16(23)9-5-14)18(29-19)11-27-20(25)13-2-6-15(22)7-3-13/h2-9,17-19H,10-11H2,1H3/t17-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18Cl2O7
Molecular Weight	453.269
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 17:21:46 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:46 GMT 2025`
Record UNII	T54BPP8JFX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Decitabine Related Compound A

Common Name

English

[(2R,3S,5S)-5-(acetyloxy)-3-(4-chlorobenzoyloxy)oxolan-2-yl]methyl 4-chlorobenzoate

Preferred Name

English

?-D-erythro-Pentofuranose, 2-deoxy-, 1-acetate 3,5-bis(4-chlorobenzoate)

Systematic Name

English

Code System Code Type Description

FDA UNII

T54BPP8JFX

Created by admin on Wed Apr 02 17:21:46 GMT 2025 , Edited by admin on Wed Apr 02 17:21:46 GMT 2025

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PUBCHEM

44629196

Created by admin on Wed Apr 02 17:21:46 GMT 2025 , Edited by admin on Wed Apr 02 17:21:46 GMT 2025

PRIMARY

CAS

1019659-87-0

Created by admin on Wed Apr 02 17:21:46 GMT 2025 , Edited by admin on Wed Apr 02 17:21:46 GMT 2025

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