Meclorisone dibutyrate

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate

CAS: 10549-91-4

Molecular Formula	`C30H40Cl2O6`
Molecular Weight	567.5 g/mol
LogP	5.0
Topological Polar Surface Area	86.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	566.2202
Heavy Atoms	38
Complexity	1080.0

Chemical Identifiers

CAS Number	10549-91-4
SMILES	`CCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)C)OC(=O)CCC`
InChIKey	`HUXCOHMTWUSXGY-GAPIFECDSA-N`

📖 Product Overview

Meclorisone dibutyrate (CAS: 10549-91-4) is a chemical compound with molecular formula C30H40Cl2O6 and molecular weight 567.5 g/mol. Its IUPAC systematic name is [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-17-butanoyloxy-9,11-dichloro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate. LogP 5.0 Topological Polar Surface Area 86.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 566.2202 Heavy Atoms 38 Complexity 1080.0 InChI Key: HUXCOHMTWUSXGY-GAPIFECDSA-N. SMILES: CCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)C)OC(=O)CCC.

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