Dm-CHOC-pen
[3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
Molecular Identity
Dm-CHOC-pen
[3,5-dichloro-2-methoxy-6-(trichloromethyl)-4-pyridinyl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
PubChem CID: 16126905
2D Structure
Properties
C35H48Cl5NO4
Molecular Formula
724.00
Molecular Weight
g/mol
723.1996
Exact Mass
Da
13.2
XLogP
Above Lipinski threshold
57.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dm-CHOC-penMipicoledine4-Demethyl-4-cholesteryloxycarbonylpenclomedineUNII-1S83F4T2WEMIPICOLEDINE [INN][3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonateCHOLEST-5-EN-3-OL (3.BETA.)-, 3-(3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)-4-PYRIDINYL CARBONATE)CHOLEST-5-EN-3.BETA.-YL 3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)PYRIDIN-4-YL CARBONATE(3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4-yl) ((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) carbonateRefChem:98709CHOLEST-5-EN-3-OL (3BETA)-, 3-(3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)-4-PYRIDINYL CARBONATE)CHOLEST-5-EN-3BETA-YL 3,5-DICHLORO-2-METHOXY-6-(TRICHLOROMETHYL)PYRIDIN-4-YL CARBONATE942149-56-61S83F4T2WE4-Demethylcholesteryloxycarbonylpenclomedine
Data from PubChem (NCBI)
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