Basic information
- CAS
2755-10-4- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C- InChIKey
RJKFOVLPORLFTN-HQZYFCCVSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- (9beta,10alpha)-Pregn-4-ene-3,20-dione
- IUPAC
- (8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 9beta,10alpha-pregn-4-ene-3,20-dione
- Molecular formula
- C21H30O2
- Molecular weight
- 314.4617
Names & synonyms
Retroprogesterone2755-10-4R94ZS616JR(9beta,10alpha)-pregn-4-ene-3,20-dioneDTXSID101335986RefChem:1050751DTXCID301766058220-407-9Lumiprogesterone9beta,10alpha-Pregn-4-ene-3,20-dione(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneUNII-R94ZS616JR
Show more names
(9β,10α)-Progesterone(9β,10α)-Pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, (9β,10α)-(9β,10α)-pregna-4-en-3,20-one/Retroprogesterone(8S,9R,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
9.beta.,10.alpha.-ProgesteroneEINECS 220-407-99.beta.,10.alpha.-Pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, (9.beta.,10.alpha.)-Pregn-4-ene-3,20-dione #orb1985362SCHEMBL3931579AKOS040753738
Database identifiers
- CAS
2755-10-4- PubChem CID
- 92940
- DTXSID
DTXSID101335986- UNII
- R94ZS616JR
- EC Number
- 220-407-9
- Nikkaji
- J121.798D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 154 · 154-156 °C
- Boiling point
- 447.2 · 447.2±45.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- FDA UNII
- 94 ZS616JR · R94ZS616JR
Chemistry & industry
Applications
UsesRetroprogesterone is employed as a combine menopause hormonal therapy, to ameliorate the risk of breast cancer in postmenopausal women.
Suppliers5 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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