Meclorisone dibutyrate

Base Information

• Chemical Name: Meclorisone dibutyrate
• CAS No.: 10549-91-4
• Molecular Formula: C30H40 Cl2 O6
• Molecular Weight: 600.54774
• European Community (EC) Number: 234-132-7
• UNII: 871V0CE38C
• DSSTox Substance ID: DTXSID80909562
• Nikkaji Number: J9.808F
• Wikidata: Q27269776
• NCI Thesaurus Code: C90954
• ChEMBL ID: CHEMBL2106423
• Mol file: 10549-91-4.mol

Synonyms:meclorisone dibutyrate;Sch 11572;Sch-11572

Chemical Property of Meclorisone dibutyrate

Chemical Property:

• Boiling Point: 641.5°Cat760mmHg
• Flash Point: 183.5°C
• PSA: 149.20000
• Density: 1.24g/cm³
• LogP: 5.36840
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 566.2201944
• Heavy Atom Count: 38
• Complexity: 1080

Purity/Quality:

98%,99%, ^*data from raw suppliers

MeclorisoneDibutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)C)OC(=O)CCC
• Isomeric SMILES: CCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)C)OC(=O)CCC
• Uses: Anti-inflammatory (topical). Meclorisone Dibutyrate is used in the optimization of the bioavailability of topical steroids in humans using the thermodynamic control.

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