Basic information
- CAS
113202-48-5- Standard SMILES
[125I]/C(=C(/c1ccccc1)c1ccc(OCCN2CC2)cc1)c1ccccc1- InChIKey
YBRBURCLTCCSKW-LLRZNNDMSA-N- Molecular formula
- C24H22INO
- Average molar mass
- 465.3 g/mol
- Monoisotopic mass
- 465.07477
Overview
labels estrogen receptor; structure given in first source; RN given refers to I125-labeled cpd
Names & identifiers
- Preferred name
- Iododesethyltamoxifen aziridine
- IUPAC
- 1-[2-[4-[(Z)-2-(125I)iodo-1,2-diphenylethenyl]phenoxy]ethyl]aziridine
- English name
- iododesethyltamoxifen aziridine
- Molecular formula
- C24H22INO
- Molecular weight
- 466.33305
Names & synonyms
Ide-TAIododesethyltamoxifen aziridineIododeethyl tamoxifen aziridine113202-48-5RefChem:1485251-(2-(4-(2-(Iodo-125I)-1,2-diphenylethenyl)phenoxy)ethyl)aziridineAziridine, 1-(2-(4-(2-(iodo-125I)-1,2-diphenylethenyl)phenoxy)ethyl)-
Database identifiers
- CAS
113202-48-5- PubChem CID
- 3036201
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 12.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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