6-Methylidene-3,20-dioxopregn-4-en-17-yl acetate
Basic information
- CAS
32634-95-0- Standard SMILES
C=C1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C12- InChIKey
YCDZXIYKJHQMIG-UHFFFAOYSA-N- Molecular formula
- C24H32O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.2300595
Names & identifiers
- Preferred name
- 6-Methylidene-3,20-dioxopregn-4-en-17-yl acetate
- IUPAC
- (17-acetyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetate
- English name
- 17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate
- Molecular formula
- C24H32O4
- Molecular weight
- 384.51
Names & synonyms
6-methylidene-3,20-dioxopregn-4-en-17-yl acetateNSC-58799NSC58799NCIOpen2_007924(17-acetyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl) acetateDTXSID00954352YCDZXIYKJHQMIG-UHFFFAOYSA-N17-Hydroxy-6-methylenepregn-4-ene-3,20-dione-17-acetate;6-Methylene-17a-hydroxyprogesterone acetate6-Methylene Progesterone Acetate6-Methylenehydroxyprogesterone AcetateMethineNsc 58799
Show more names
AmuteromethylEinecs 251-133-8Methylene substance6-MethleneprogesteroneMegestrol acetate EP Impurity DMedroxyprogesterone EP Impurity E
Database identifiers
- CAS
32634-95-0- PubChem CID
- 246167
- DTXSID
DTXSID00954352
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 807
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 248 · 248-251℃ (methanol )
- Boiling point
- 507.6 · 507.6±50.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 300 μg/L · 300μg/L at 20℃
- InChIKey
- YCDZXIYKJHQMIG-GQFGMJRRSA-N
- SMILES
- C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)CC2=C
- LogP
- 3.48 at · 3.48 at 25℃
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
- hs_code
- 2915399500
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses6-Methylene Progesterone Acetate is an impurity of Medroxyprogesterone 17-Acetate (M203560). Medroxyprogesterone 17-Acetate impurity F as per EP.
Uses6-Methylene Progesterone Acetate (Megestrol Acetate EP Impurity D) is an impurity of Medroxyprogesterone 17-Acetate (M203560). Medroxyprogesterone 17-Acetate impurity F as per EP.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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