Tro-40303
3-[(3R,3aR,5aS,6R,7E,9aS,9bS)-7-hydroxyimino-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propan-1-ol
Molecular Identity
Tro-40303
3-[(3R,3aR,5aS,6R,7E,9aS,9bS)-7-hydroxyimino-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propan-1-ol
PubChem CID: 117902620
2D Structure
Properties
C26H47NO2
Molecular Formula
405.70
Molecular Weight
g/mol
405.3607
Exact Mass
Da
7.9
XLogP
Above Lipinski threshold
52.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
573
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(=NO)C3(C)CCCO)CIsomeric SMILES
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC/C(=N\O)/[C@]3(C)CCCO)CSynonyms(16)
tro40303TRO-40303TRO 403033W389841RN3,5-Seco-4-norcholestan-5-one oxime-3-ol14291-24-8(3R,3aR,5aS,6R,9aS,9bS)-3-((1R)-1,5-Dimethylhexyl)-6-(3-hydroxypropyl)-3a,6-dimethyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta(a)naphthalen-7-one oxime7H-Benz(E)inden-7-one, 3-((1R)-1,5-dimethylhexyl)dodecahydro-6-(3-hydroxypropyl)-3a,6-dimethyl-, oxime, (3R,3aR,5aS,6R,9aS,9bS)-RefChem:192232UNII-3W389841RNorb2815612CHEMBL4297500SCHEMBL16506095EX-A3773T202094
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tro-40303
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