Troxacitabine
4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Molecular Identity
Troxacitabine
4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID: 454194
Troxacitabine is a nucleobase-containing molecular entity and a carbohydrate derivative.
2D Structure
Properties
C8H11N3O4
Molecular Formula
213.19
Molecular Weight
g/mol
213.0750
Exact Mass
Da
-1.7
XLogP
Drug-like (Lipinski: < 5)
97.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
328
Complexity
SMILES
Canonical SMILES
SMILES: C1C(OC(O1)CO)N2C=CC(=NC2=O)NIsomeric SMILES
SMILES: C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)NSynonyms(20)
Troxacitabine145918-75-8TroxatylBch-4556L-Oddc(-)-ODDCTroxacitabina60KQZ0388Y2(1H)-Pyrimidinone, 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-(2S-cis)-4-Amino-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-2(1H)-pyrimidinoneHmd-cytosine2(1H)-Pyrimidinone, 4-amino-1-((2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)-4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1,2-dihydropyrimidin-2-onebeta-L-Dioxolane-cytidine1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)cytosine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Troxacitabine
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