ASPACYTARABINE

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Synonyms
Status
Molecule Category Free-form
UNII JL7V54Z2BR

Structure

InChI Key PVPJTBAEAQVTPN-HRAQMCAYSA-N
Smiles N[C@@H](CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1)C(=O)O
InChI
InChI=1S/C13H18N4O8/c14-5(12(22)23)3-8(19)15-7-1-2-17(13(24)16-7)11-10(21)9(20)6(4-18)25-11/h1-2,5-6,9-11,18,20-21H,3-4,14H2,(H,22,23)(H,15,16,19,24)/t5-,6+,9+,10-,11+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18N4O8
Molecular Weight 358.31
AlogP -3.4
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 197.23
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
DNA disrupting agent DISRUPTING AGENT DailyMed PubMed

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297599
FDA SRS JL7V54Z2BR
PubChem 135390942
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