15beta-Hydroxyosaterone acetate
Also known as Osaterone acetate, 15beta-hydroxy-, 2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-15-hydroxy-, (15beta)-, 2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-15-hydroxy-, (15.beta.)-
Key facts
What buyers check first
- CAS number
- 124530-41-2
- Formula
- C22H27ClO6
- Molar mass
- 422.91 g/mol
- EC number
- 824-855-1
- HS code
- 293220
- Category
- Screening compounds
What is 15beta-Hydroxyosaterone acetate?
Plain description, key identifiers and synonyms
15beta-Hydroxyosaterone acetate is a chemical substance with the molecular formula C22H27ClO6 and a molar mass of 422.91 g/mol. Its CAS registry number is 124530-41-2. The IUPAC name is [(1R,3R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-3-hydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-1-yl] acetate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(1R,3R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-3-hydroxy-9a,11a-dimethyl-7-oxo-2,3,3a,3b,9,9b,10,11-octahydroindeno[4,5-h]isochromen-1-yl] acetate
- CAS number
- 124530-41-2 CAS number cross-checked
- EC number
- 824-855-1
- Molecular formula
- C22H27ClO6
- UNII
- T1FE32X91Z
- InChIKey
- PUVIUQNYQQPAQB-LZGXPLDUSA-N
- InChI
- InChI=1S/C22H27ClO6/c1-11(24)22(29-12(2)25)9-17(26)19-13-7-16(23)15-8-18(27)28-10-20(15,3)14(13)5-6-21(19,22)4/h7-8,13-14,17,19,26H,5-6,9-10H2,1-4H3/t13-,14+,17-,19-,20-,21+,22+/m1/s1
- Canonical SMILES
- CC(=O)OC1(C(C)=O)CC(O)C2C3C=C(Cl)C4=CC(=O)OCC4(C)C3CCC21C
- Isomeric SMILES
- CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)OC[C@]34C)Cl)C)O)OC(=O)C
Synonyms
- Osaterone acetate, 15beta-hydroxy-
- 2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-15-hydroxy-, (15beta)-
- 2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-15-hydroxy-, (15.beta.)-
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 | 422.91 g/molcalc.Computed value |
|---|---|
| Exact mass | 422.1496 Dacalc.Computed value |
| LogP (octanol/water) | 2.92calc.Computed value |
| Topological polar surface area | 89.9 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.68calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 7calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H361Suspected of damaging fertility or the unborn child.
- H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (7)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- 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.
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15beta-Hydroxyosaterone acetate price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
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 15beta-Hydroxyosaterone acetate is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for 15beta-Hydroxyosaterone acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 15beta-Hydroxyosaterone acetate, based on the data on this page
What is 15beta-Hydroxyosaterone acetate?
What is the CAS number of 15beta-Hydroxyosaterone acetate?
What is the molecular formula and weight of 15beta-Hydroxyosaterone acetate?
What is 15beta-Hydroxyosaterone acetate used for?
Is 15beta-Hydroxyosaterone acetate hazardous?
What is the HS code of 15beta-Hydroxyosaterone acetate?
Where can I buy 15beta-Hydroxyosaterone acetate?
What is the price of 15beta-Hydroxyosaterone acetate?
Guides for buyers
Practical guides that help when you source, ship or handle 15beta-Hydroxyosaterone acetate
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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