Basic information
- CAS
10448-84-7- Standard SMILES
COc1ccc(C(=C(c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1- InChIKey
MFKMXUFMHOCZHP-UHFFFAOYSA-N- Molecular formula
- C27H28N2O4
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.20490738
Overview
A non-steroidal estrogen antagonist (as the 1:1 citrate) most commonly used as a research tool in animal studies.
Names & identifiers
- Preferred name
- Nitromifene
- IUPAC
- 1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
Names & synonyms
NITROMIFENENitromifeno5FS1NJ6Q8NNitromifenumCI628DTXSID50883143NitromiphenePyrrolidine, 1-(2-(4-(1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)ethyl)-RefChem:389152DTXCID40184204910448-84-71-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
Show more names
Nitromifene [INN]UNII-5FS1NJ6Q8NSCHEMBL408232orb1706907CHEMBL4594228DTXSID10864271KAA44884Q27262013
Database identifiers
- CAS
10448-84-7- PubChem CID
- 22150
- DTXSID
DTXSID10864271- ChEMBL
CHEMBL4594228- UNII
- 5FS1NJ6Q8N
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 633
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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