Basic information
- CAS
90937-07-8- Standard SMILES
C[C@]12C[C@H](CBr)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O- InChIKey
UNCKJYTUPIOIRJ-OQFXVXKWSA-N- Molecular formula
- C19H25BrO2
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 364.10379
Overview
synthetic compound interacting strongly with estradiol receptor; acts as an ESTRADIOL agonist
Names & identifiers
- Preferred name
- 11-Bromomethyl-estradiol
- IUPAC
- (8S,9R,11S,13S,14S,17S)-11-(bromomethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 11-bromomethylestradiol
- Molecular weight
- 0
Names & synonyms
11-Bromomethylestradiol90937-07-811-Bromomethyl-estradiolEstra-1,3,5(10)-triene-3,17-diol, 11-(bromomethyl)-, (11beta,17beta)-RefChem:7779011 beta-bromomethylestradiol11beta-Bromomethylestradiol(8S,9R,11S,13S,14S,17S)-11-(bromomethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diolDTXSID8092005011-(Bromomethyl)estra-1(10),2,4-triene-3,17-diol11beta-(Bromomethyl)estra-1(10),2,4-triene-3,17beta-diol
Database identifiers
- CAS
90937-07-8- PubChem CID
- 67374
- DTXSID
DTXSID80920050
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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