Crobenetine
(1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
Molecular Identity
Crobenetine
(1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
PubChem CID: 9886143
2D Structure
Properties
C25H33NO2
Molecular Formula
379.50
Molecular Weight
g/mol
379.2511
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
32.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
529
Complexity
SMILES
Canonical SMILES
SMILES: CC(CN1CCC2(C3=C(CC1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4Isomeric SMILES
SMILES: C[C@@H](CN1CC[C@]2(C3=C(C[C@@H]1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4Synonyms(20)
crobenetine221019-25-6Q72DWI2G4CcrobenetinacrobenetinumRefChem:128492Crobenetine [INN]BIII 890 CLCrobenetine Free BaseUNII-Q72DWI2G4CBIII 890(1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-olCROBENETINE [WHO-DD]orb1739685CHEMBL3039733
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Crobenetine
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