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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

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
T54BPP8JFX
Record Status Validated (UNII)
Record Version