Dalzanemdor
(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Identity
Dalzanemdor
(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
PubChem CID: 86305217
2D Structure
Properties
C27H43F3O2
Molecular Formula
456.60
Molecular Weight
g/mol
456.3215
Exact Mass
Da
7.2
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
762
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCC(C)(C(F)(F)F)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)(C)O)C)CIsomeric SMILES
SMILES: C[C@H](CC[C@@](C)(C(F)(F)F)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@](C4)(C)O)C)CSynonyms(20)
Dalzanemdor1629853-48-0SAGE-718SAGE7188ENS5K3JW8(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol(3S,8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-((2R,5S)-6,6,6-trifluoro-5-hydroxy-5-methylhexan-2-yl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-olRefChem:1082956Dalzanemdor [INN]UNII-8ENS5K3JW8(25S)-26,26,26-Trifluoro-3alpha-methyl-24-norcholest- 5-ene-3beta,25-diol(3beta,24S)-25,25,25-Trifluoro-3-methyl-26,27-dinorergost-5-ene-3,24-diol26,27-Dinorergost-5-ene-3,24-diol, 25,25,25-trifluoro-3-methyl-, (3beta,24S)-Dalzanemdor?Dalzanemdor (USAN/INN)
Data from PubChem (NCBI)
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