Elacytarabine
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Molecular Identity
Elacytarabine
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
PubChem CID: 6438895
Elacytarabine is a pyrimidine nucleoside.
2D Structure
Properties
C27H45N3O6
Molecular Formula
507.70
Molecular Weight
g/mol
507.3308
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
135
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
754
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)OIsomeric SMILES
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OSynonyms(20)
Elacytarabine188181-42-2CP-4055ELACYTTA7WJG93ARElacitarabinaP-40552(1H)-Pyrimidinone, 4-amino-1-(5-O-((9E)-1-oxo-9-octadecenyl)-beta-D-arabinofuranosyl)-elacytarabinumRefChem:5906694-AMINO-1-(5-O-((9E)-OCTADEC-9-ENOYL)-BETA-D-ARABINOFURANOSYL)PYRIMIDIN-2(1H)-ONE((2R,3S,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl (9E)-octadec-9-enoate101235-34-1CP 4055UNII-TA7WJG93AR
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Elacytarabine
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