Maxacalcitol
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Identity
Maxacalcitol
trans-(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
PubChem CID: 6398761
Maxacalcitol is an organic molecular entity.
2D Structure
Properties
C26H42O4
Molecular Formula
418.60
Molecular Weight
g/mol
418.3083
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
69.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
691
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Maxacalcitol22-Oxacalcitriol103909-75-7PreziosOxarolmaxacalcitriol22-oxa-calcitriolSch 209579Sch-20957922-Oxa-1,25-dihydroxyvitamin D3N2UJM5NBF6DTXSID4048648SCH209579(+)-(5Z,7E,20S)-20-(3-Hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol1,3-Cyclohexanediol, 4-methylene-5-((2E)-((1S,3aS,7aS)-octahydro-1-((1S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R,3S,5Z)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Maxacalcitol
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