Basic information
- CAS
66212-25-7- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
PJERKBARHKFJRD-CEGNMAFCSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- 17-Hydroxy-1,4,6-pregnatriene-3,20-dione
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
- English name
- 17-Hydroxy-1,4,6-pregnatriene-3,20-dione
- Molecular formula
- C21H26O3
- Molecular weight
- 326.43
Names & synonyms
66212-25-717-Hydroxy-1,4,6-pregnatriene-3,20-dione17-hydroxypregna-1,4,6-triene-3,20-dioneDTXSID001036389RefChem:437564DTXCID701520581EC 613-906-1613-906-1SCHEMBL8974618Hydroxyprogesterone Impurity 23NS00002159I82209
Show more names
Cyproterone Impurity 11Hydroxyprogesterone Impurity 2(8R,9S,10R,13S,14S,17R)-17-Acetyl-17-hydroxy-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (Hydroxyprogesterone impurity)
Pregna-1,4,6-triene-3,20-dione, 17-hydroxy-(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
66212-25-7- PubChem CID
- 54192044
- DTXSID
DTXSID001036389- EC Number
- 613-906-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 715
Physicochemical properties
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- Water Solubility
- 20 mg/L · 20mg/L at 25℃
- LogP
- 2.23 at · 2.23 at 25℃
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: 17-Hydroxy-1,4,6-pregnatriene-3,20-dione (EC: 613-906-1)
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Applications
Uses17-Hydroxypregna-1,4,6-triene-3,20-dione is an intermediate in the synthesis of 6-Deschloro Cyproterone Acetate (Cyproterone Acetate EP Impurity A) (D288520), which is an impurity of Cyproterone acetate (C989100).
Upstream & downstream products
Downstream products
Suppliers10 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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