Basic information
- CAS
5863-35-4- Standard SMILES
COc1ccc(C(=C(c2ccccc2)[N+](=O)[O-])c2ccc(OCCN3CCCC3)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
LHAPNDAERSFWSC-UHFFFAOYSA-N- Molecular formula
- C33H36N2O11
- Average molar mass
- 636.6 g/mol
- Monoisotopic mass
- 636.23190997
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(4-(1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
- English name
- Nitromifene
- Molecular formula
- C33H36N2O11
- Molecular weight
- 636.64574
Names & synonyms
NITROMIFENE CITRATECI 628NSC-110407TN5UQ266RACN 55945-275863-35-4Pyrrolidine, 1-(2-(4-(1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl)phenoxy)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)NSC1104071-(2-(p-(alpha-(p-Methoxyphenyl)-beta-nitrostyryl)phenoxy)ethyl)pyrrolidine citrate (1:1)RefChem:930403CI-628 citrate2-Hydroxypropane-1,2,3-tricarboxylic acid;1-[2-[4-[1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]ethyl]pyrrolidine
Show more names
CI628 citrateCI 628 citrateParke davis CI-628LHAPNDAERSFWSC-JGUILPGDSA-N
orb1695896CHEMBL45942321-(2-(P-(.ALPHA.-(P-METHOXYPHENYL)-.BETA.-NITROSTYRYL)PHENOXY)ETHYL)PYRROLIDINE CITRATE (1:1)FAA86335Q27290035
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 860
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Orange
- FDA UNII
- 5 UQ266RA · TN5UQ266RA
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Applications
UsesAnti-estrogen.
UsesNitromifene citrate is a non-steroidal estrogen antagonist. It is structurally similar to Tamoxifen (T006000) which is a selective estrogen response modifier (SERM).
Suppliers6 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
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Compound notes
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