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Tibolone

CAT: 0013-GTR19229934-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229934-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tibolone is a synthetic steroid with estrogenic properties used to alleviate menopausal symptoms and prevent osteoporosis. It is widely employed in preclinical research to study hormone replacement therapy, bone metabolism, and its tissue-selective effects in both in vitro and in vivo models.
CAS Number
5630-53-5
Product Name Alternative
Progestogen Receptor, progestogenReceptor, tibolona, Tibolone, tibolonum, EstrogenReceptor, Estrogen Receptor, ER
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.70% (May vary between batches)
Solubility
H2O:insoluble; DMSO:20 mg/mL (64.01 mM) ; Ethanol:2 mg/mL (6.4 mM)
Smiles
C[C@@H]1CC2=C (CCC (=O) C2) [C@H]2CC[C@@]3 (C) [C@@H] (CC[C@@]3 (O) C#C) [C@H]12
Molecular Formula
C21H28O2
Molecular Weight
312.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tibolone

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.

CAS Number5630-53-5
PubChem CID444008
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
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP2.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity635
SMILES
C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
InChI
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
InChIKey
WZDGZWOAQTVYBX-XOINTXKNSA-N
Chemical Structure
2D Structure
2D structure of Tibolone
CAS: 5630-53-5
CID: 444008
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass312.208930132
Monoisotopic Mass312.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FT35065-01Tibolone
TRC-T437495-10MG7Beta-Tibolone
CS-O-03644Tibolone-d5
290169-01∆4-Tibolone
HY-123047R-01Tibolone (Standard)
CS-O-44754Tibolone-d6
439911-017β-Tibolone
RM-T090211-01Tibolone D5
CS-O-06132Delta-4-Tibolone
CS-T-60286Tibolone Impurity B

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