Basic information
- CAS
79-64-1- Standard SMILES
CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
LVHOURKCKUYIGK-RGUJTQARSA-N- Molecular formula
- C23H32O2
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.24023026
Overview
Dimethisterone is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- Dimethisterone
- IUPAC
- (6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- DIMETHISTERONE
- Molecular formula
- C23H32O2
- Molecular weight
- 340.5
Names & synonyms
DIMETHISTERONEDimethisteron79-64-1SecrosteronDimethisterone anhydrousDimetisteronaDimethisteronumDimetisterone(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneDTXSID5057834OIC9M646C5DTXCID6031623
Show more names
OvinP 5048DIMETHISTERONE USP/EP/BP6α,21-Dimethylethisterone6α-Methyl-17-(1-propynyl)testosterone17β-Hydroxy-6α-methyl-17-(1-propynyl)androst-4-en-3-oneAndrost-4-en-3-one,17-hydroxy-6-methyl-17-(1-propynyl)-, (6a,17b)-
Androst-4-en-3-one, 17-hydroxy-6-methyl-17-(1-propynyl)-, (6alpha,17beta)-(6S,8R,9S,10R,13S,14S,17S)-17-hydroxy-6,10,13-trimethyl-17-prop-1-ynyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta(a)phenanthren-3-oneRefChem:134181201-215-4K4MZ02M175LutoganDimetisterone [DCIT]Dimethisterone [INN]
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Melting point
- 102 ° · 102°
- alpha
- 20 · D20 +10° (c = 1 in chloroform)
- Boiling point
- 416.28 °C · 416.28°C (rough estimate)
- Density
- 1.0555 · 1.0555 (rough estimate)
- refractive index
- 1.448 · 1.4480 (estimate)
- pka
- 13.03 · 13.03±0.70(Predicted)
- FDA UNII
- 9 M646C5 · OIC9M646C5
- EPA Substance Registry System
- Dimethisterone (79-64-1)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Oral contraceptives which owe their effectiveness to hormonal preparations.
Oral contraceptives which owe their effectiveness to synthetic preparations.
Applications
UsesDimethisterone-d3 is the labeled analogue of Dimethisterone (D460430), an oral contraceptive steroid.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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