Irofulven
(5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
Molecular Identity
Irofulven
(5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
PubChem CID: 148189
Irofulven is a member of cyclohexenones.
2D Structure
Properties
C15H18O3
Molecular Formula
246.30
Molecular Weight
g/mol
246.1256
Exact Mass
Da
-0.2
XLogP
Drug-like (Lipinski: < 5)
57.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
558
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Irofulven158440-71-2(-)-Irofulven6-HydroxymethylacylfulveneMGI-114(hydroxymethyl)acylfulvene6-(Hydroxymethyl)acylfulveneIrofulveneIrofulvenoNSC-683863MGI114MGI.1146B799IH05ALP-100DTXSID50166423
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Irofulven
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