Cyproterone - Compound Summary (CID 16417)
An anti-androgen that, in the form of its acetate (CYPROTERONE ACETATE), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females.
  Table of Contents
 Drug and Chemical Information: (Total:1)
 Properties Computed from Structure:
| Molecular Weight | 374.90098 [g/mol] | | Molecular Formula | C22H27ClO3 | | XLogP3-AA | 3.1 | | H-Bond Donor | 1 | | H-Bond Acceptor | 3 | | Rotatable Bond Count | 1 | | Tautomer Count | 4 | | Exact Mass | 374.164872 | | MonoIsotopic Mass | 374.164872 | | Topological Polar Surface Area | 54.4 | | Heavy Atom Count | 26 | | Formal Charge | 0 | | Complexity | 797 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 3 | | Undefined Atom StereoCenter Count | 5 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O
Isomeric SMILES: CC(=O)[C@]1(CCC2C1(CCC3C2C=C(C4=CC(=O)[C@@H]5C[C@@H]5C34C)Cl)C)O
InChI: InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16
(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13-,
14?,15?,16+,20?,21?,22+/m1/s1
InChIKey: DUSHUSLJJMDGTE-LXMMIWJPSA-N
Compound Information:
 Substance Information:
Substances: 4 Links
Category: [for same structure substances]
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| Compound ID | 16417 |
| | Molecular Weight | 374.90098 [g/mol] |
| | Molecular Formula | C22H27ClO3 |
| | XLogP3-AA | 3.1 |
| | H-Bond Donor | 1 |
| | H-Bond Acceptor | 3 |
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Literature
