2-[(1R,2S,10S,11S,14R,15S,17S)-1,17-dichloro-14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate

• ChemBase ID: 313098
• Molecular Formular: C23H28Cl2O5
• Molecular Mass: 455.37142
• Monoisotopic Mass: 454.13137936
• SMILES: C1(=O)C=C2[C@](C=C1)([C@@]1([C@@H](CC2)[C@H]2[C@](C[C@@H]1Cl)([C@](CC2)(C(=O)COC(=O)C)O)C)Cl)C
• Canonical SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](Cl)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)Cl
• InChI: InChI=1S/C23H28Cl2O5/c1-13(26)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(27)6-8-20(14,2)23(17,25)18(24)11-21(16,22)3/h6,8,10,16-18,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
• InChIKey: YNNURTVKPVJVEI-GSLJADNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1R,2S,10S,11S,14R,15S,17S)-1,17-dichloro-14-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
• IUPAC Traditional name: visoderm
• Synonyms: dichlorisone acetate

Database IDs

• CAS Number: 79-61-8

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 3.5758142
• LogD (pH = 7.4): 3.5758116
• Log P: 3.5758142
• Molar Refractivity: 114.9669 cm^3
• Polarizability: 44.969162 Å^3
• Polar Surface Area: 80.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 12.614311
• H Acceptors: 4

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Acetate