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Basic information
- CAS
4011-48-7- Standard SMILES
Cc1cc(O)cc2c1C1CCC3(C)C(=O)CCC3C1CC2- InChIKey
AIBFRTWVQFOKIS-UHFFFAOYSA-N- Molecular formula
- C19H24O2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.17763
Names & identifiers
- Preferred name
- 3-Hydroxy-1-methylestra-1(10),2,4-trien-17-one
- IUPAC
- 3-hydroxy-1,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- English name
- 1,3,5(10)-Estratrien-1-methyl-3-ol-17-one
- Molecular formula
- C19H24O2
- Molecular weight
- 284.39
Names & synonyms
NCIOpen2_003253DTXSID40960558EAA01148NSC675823-Hydroxy-1-methylestra-1(10),2,4-trien-17-oneEstra-1,5(10)-trien-17-one, 3-hydroxy-1-methyl-1-METHYLESTRONEEstrone Impurity 2Estradiol Impurity N1Estradiol Impurity IIIEstrone 1-Methyl Impurity1,3,5(10)-Estratrien-1-methyl-3-ol-17-one
Show more names
3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one
Database identifiers
- CAS
4011-48-7- PubChem CID
- 249338
- DTXSID
DTXSID40960558
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- FDA UNII
- 40063 FA5LS · 40063FA5LS
Chemistry & industry
Applications
Uses1-Methylestrone is found in sewage treatment plants effluents.
Suppliers11 total
上海策嵘生物科技有限公司[email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
ChEBI: 3-Hydroxy-1-methylestra-1,3,5(10)-trien-17-one is a 3-hydroxy steroid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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