Aspacytarabine
(2S)-2-amino-4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoic acid
Molecular Identity
Aspacytarabine
(2S)-2-amino-4-[[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutanoic acid
PubChem CID: 135390942
2D Structure
Properties
C13H18N4O8
Molecular Formula
358.30
Molecular Weight
g/mol
358.1125
Exact Mass
Da
-4.5
XLogP
Drug-like (Lipinski: < 5)
195
TPSA
May have limited oral absorption
6
H-Bond Donors
9
H-Bond Acceptors
621
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN(C(=O)N=C1NC(=O)CC(C(=O)O)N)C2C(C(C(O2)CO)O)OIsomeric SMILES
SMILES: C1=CN(C(=O)N=C1NC(=O)C[C@@H](C(=O)O)N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)OSynonyms(20)
AspacytarabineAstarabineAspacytarabine [INN]Aspacytarabine [USAN]BST-236JL7V54Z2BRaspacitarabinaUNII-JL7V54Z2BRASPACYTARABINE [WHO-DD]L-Asparagine, N-(1-beta-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-L-ASPARAGINE, N-(1-.BETA.-D-ARABINOFURANOSYL-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-N4-(1-.BETA.-D-ARABINOFURANOSYL-2-OXO-1,2-DIHYDROPYRIMIDIN-4-YL)-L-ASPARAGINEaspacytarabinumRefChem:114655Ara-C Asparagine Conjugate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aspacytarabine
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