Products 5630-53-5

CAS 5630-53-5 appears in our catalog under these names: Tibolone (1mg/ml in Acetonitrile), Tibolone, >95% (HPLC), Tibolone, TIBOLONE, BRITISH PHARMACOPOEIA (BP) REF, Tibolone, 99.9%. Offered by: TRC, Mikromol, LoGiCal, TargetMol, GLPBio. Available pack sizes: 10x1ml, 100mg, 1g, 50mg, 250mg, 10mg, 25mg, 500mg.

Structural formula: {0} (CAS {1})

Tibolone is estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis. It has a role as a bone density conservation agent and a hormone agonist. It is a 17beta-hydroxy steroid and a terminal acetylenic compound.

Source: ChEBI

Identity
Molecular formulaC21H28O2
Molecular weight312.4 g/mol
IUPAC name(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKeyWZDGZWOAQTVYBX-XOINTXKNSA-N
SMILESC[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O

Computed by PubChem (NCBI)