Basic information
- CAS
104842-16-2- Standard SMILES
CO[C@H]1C[C@]2(C)[C@@H](O)[C@H](I)C[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21- InChIKey
ZKXIUQUNJAKYCW-RUOITVIXSA-N- Molecular formula
- C19H25IO3
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 428.08484
Overview
useful imaging agent for detecting estrogen receptor containing tumors; RN given refers to 11beta,16alpha,17beta-isomer; RN for cpd without isomeric designation not available 8/89
Names & identifiers
- Preferred name
- 11-Methoxy-16-iodoestradiol
- IUPAC
- (8S,9S,11S,13S,14S,16R,17R)-16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 11-methoxy-16-iodoestradiol
- Molecular weight
- 0
Names & synonyms
11-Methoxy-16-iodoestradiol104842-16-211-ME(2)RefChem:7792811beta-Methoxy-16alpha-123-I-iodoestradiolDTXSID8090924416-Iodo-11-methoxyestra-1(10),2,4-triene-3,17-diol16alpha-Iodo-11beta-methoxyestra-1(10),2,4-triene-3,17beta-diolEstra-1,3,5(10)-triene-3,17-diol, 16-iodo-11-methoxy-, (11beta,16alpha,17beta)-
Database identifiers
- CAS
104842-16-2- PubChem CID
- 67385
- DTXSID
DTXSID80909244- Nikkaji
- J898.602I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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