CYTARABINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Salt
UNII: 33K3DB6591
Parent Compound: CYTARABINE

Structure
InChI Key KCURWTAZOZXKSJ-JBMRGDGGSA-N
Smile Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChI
InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14ClN3O5
Molecular Weight 279.68
AlogP -2.56
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 130.83
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1256472
EPA CompTox DTXSID5024891
FDA SRS 33K3DB6591
PubChem 6252
SureChEMBL SCHEMBL67288
CONTENTS