Molecular Identity
Celgosivir
[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoate
PubChem CID: 60734
2D Structure
Properties
C12H21NO5
Molecular Formula
259.30
Molecular Weight
g/mol
259.1420
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
90.2
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
311
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Celgosivir121104-96-96-O-Butanoylcastanospermine[(1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl] butanoateMDL 28,574MX-3253MDL-28574895VG117HNMBI-3253(1S,6S,7S,8R,8aR)-Octahydro-1,7,8-trihydroxy-6-indolizinyl butyrateDTXSID70153153Butanoic acid, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-celgosivirum((1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl) butanoateRefChem:124291
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Celgosivir
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