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Tibolone chemical structure, C21H28O2, CAS 5630-53-5
2D chemical structure

Key facts

What buyers check first

CAS number
5630-53-5
Formula
C21H28O2
Molar mass
312.45 g/mol
EC number
227-069-1
HS code
293729
Category
Hormones and steroids

What is Tibolone?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

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
CAS number
5630-53-5 CAS number cross-checked
EC number
227-069-1
Molecular formula
C21H28O2
UNII
FF9X0205V2
InChIKey
WZDGZWOAQTVYBX-XOINTXKNSA-N
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
Canonical SMILES
C#CC1(O)CCC2C3C(C)CC4=C(CCC(=O)C4)C3CCC21C
Isomeric 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

Synonyms

  • Liviella
  • Livial
  • Org OD 14
  • Tibolona
  • Xyvion
  • Tibolonum
  • (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
  • 17-Hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one
  • ORG-OD 14
  • 17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one
  • tibilone
  • Org OD14
  • (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
  • 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7-alpha,17-alpha)-
  • Boltin
  • (1S,9R,10R,11S,14R,15S)-14-ethynyl-14-hydroxy-9,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-one
  • (17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one
  • Tibolone (1mg/ml in Acetonitrile)
  • (7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one
  • (7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one
  • 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7alpha,17alpha)-
  • (7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
  • Tibofem
  • Org-OD14
  • Tibolone Impurity Standard
Show all 27 synonyms
  • Org OD 14, Org OD14
  • Tibolone (JAN/USAN/INN)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
312.45 g/molcalc.
Exact mass
312.2089 Dacalc.
LogP (octanol/water)
3.88calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC2=C(CCC3C2CCC2CCCC23)C1

O=C1CCC2=C(CCC3C2CCC2CCCC23)C1

4 rings, 18 atoms.

22 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H319Causes serious eye irritation.
  • H351Suspected of causing cancer.
  • H360FdMay damage fertility. Suspected of damaging the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (12)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P337 + P317If eye irritation persists: Get medical help.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Tibolone suppliers

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Tibolone price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • Anabolic Agents
  • Androgen Antagonists
  • Antihypertensive Agents
  • Antineoplastic Agents, Hormonal
  • Estrogen Receptor Modulators

Roles

  • agonist
  • antidepressant
  • antineoplastic agent
  • bone density conservation agent
  • central nervous system drug
  • hormone agonist
  • hormone receptor modulator
  • pharmaceutical
  • psychotropic drug
  • receptor modulator

Functional uses

  • Pharmaceutical

Pharmacology

Tibolone is a synthetic anabolic steroid with estrogenic, androgenic and progestagenic activities. The 3alpha- and 3beta-hydroxy metabolites of tibilone activate estrogenic receptors (ERs) in bone and vaginal tissue leading to a decrease in bone turnover, and decreased vaginal dryness, respectively, derived from the 3beta-hydroxy metabolite, its delta4-isomer activates androgenic receptors (ARs) in the brain and liver and progestogenic receptors (PRs) in endometrial tissue, affecting sexual function, lipid metabolism, and endometrial function, respectively.

Read more

In breast and endometrial tissue, tibolone metabolites inhibit sulfatase, preventing the conversion of circulating estrone sulfate and estradiol sulfate to estrone and estradiol, respectively, estrogen-mediated effects in the breast and uterus are thus reduced.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tibolone is traded under.

HS 2937.29Indicative HS code

Steroidal hormones, their derivatives and structural analogues, other

World exports in 2024
$2.32B
+5.7% vs 2023, imports $2.41B
2019 to 2024
Top exporters
  1. Belgium25.3%
  2. United States24.9%
  3. China13.0%
Top importers
  1. Italy18.0%
  2. Canada13.0%
  3. Belgium12.2%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Tibolone is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tibolone, based on the data on this page

What is 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).

What is the CAS number of Tibolone?

The CAS registry number of Tibolone is 5630-53-5.

What is the molecular formula and weight of Tibolone?

The molecular formula of Tibolone is C21H28O2 and its molar mass is 312.45 g/mol.

What is Tibolone used for?

Use classes: Pharmaceuticals.

Is Tibolone hazardous?

Tibolone carries the GHS signal word "Danger". Main hazards: causes serious eye irritation, suspected of causing cancer, may damage fertility. suspected of damaging the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tibolone?

Tibolone is usually classified under HS code 293729 (Steroidal hormones, their derivatives and structural analogues, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tibolone?

CompoundList lists 43 suppliers of Tibolone in China, United States, United Kingdom, India and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Tibolone in India?

3 suppliers in India list Tibolone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Tibolone?

Suppliers quote Tibolone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tibolone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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