Penmesterol
Basic information
- CAS
67-81-2- Standard SMILES
C[C@]12CCC(OC3CCCC3)=CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
ZUBDXGHKAAMAAA-RFXJPFPRSA-N- Molecular formula
- C25H38O2
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.28718045
Overview
Penmesterol is an androstanoid.
Names & identifiers
- Preferred name
- Penmesterol
- IUPAC
- (8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ol
- English name
- METHYLTESTOSTERONE
- Molecular formula
- C25H38O2
- Molecular weight
- 370.57
Names & synonyms
PENMESTEROL67-81-2Penmesterol [INN:DCF]RP 12222D5F29U03HMPandrocinePenmestrolRP-12222(8R,9S,10R,13S,14S,17S)-3-cyclopentyloxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-olPenmesteroloPenmesterolumPenmesterolo [DCIT]
Show more names
17ALPHA-METHYLTESTOSTERONEMESTERONEMETANDRENMETHYLTESTOSTERONE17ALPHA-METHYL-4-ANDROSTEN-17BETA-OL-3-ONE4-ANDROSTEN-17ALPHA-METHYL-17BETA-OL-3-ONE17α-Methyltestosterone 3-cyclopentyl ether
Penmesterolum [INN-Latin]UNII-D5F29U03HM17alpha-Methyltestosterone 3-cyclopentyl enol etherEINECS 200-670-6PENMESTEROL [INN]SCHEMBL547668CHEMBL2104849CHEBI:135567
Database identifiers
- CAS
67-81-2- PubChem CID
- 20054971
- DTXSID
DTXSID301018944- ChEMBL
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Melting point
- 162 · 162-168 °C(lit.)
- solubility
- 2 O: · H2O: ≤0.5 mg/mL
- form
- solid (photosensitive)
- color
- white
- InChIKey
- ZUBDXGHKAAMAAA-CCSODHJYNA-N
- SMILES
- [C@]12(C)CC[C@]3([H])[C@@]4(C)CCC(OC5CCCC5)=CC4=CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C |&1:0,4,6,21,23,27,r|
- CAS DataBase Reference
- 67 · 67-81-2(CAS DataBase Reference)
- FDA UNII
- 5 F29U03HM · D5F29U03HM
- Proposition 65 List
- Methyltestosterone
- ATC code
- 3 BA02,G03EK01 · G03BA02,G03EK01
- Hazard Codes
- T
- Risk Statements
- 45 · 45-63
- Safety Statements
- 53 · 53-36/37-45
- WGK Germany
- 3 · 3
- RTECS
- 8400000 · BV8400000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- BV8400000
- risk_code
- 45-63
- hazard_code
- T
- safety_code
- 53-36/37-45
Chemistry & industry
Applications
UsesAndrogen.
General DescriptionMethyltestosterone, 17β-hydroxy-17-methylandrost-4-en-3-one, is only about half asactive as testosterone (intramuscularly), but it has the greatadvantage of being orally active.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Penmesterol is an androstanoid.
Suppliers
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Related reactions
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Compound notes
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