Basic information
- CAS
19957-52-9- Standard SMILES
CCN(CC)CCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)cc1- InChIKey
YOKPBLYAKJJMQO-YYADALCUSA-N- Molecular formula
- C26H29NO
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.22491455
Overview
derivatives of CLOMIPHENE; non-steroidal antifertility agents; RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Eipw 103
- IUPAC
- 2-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
- English name
- Deschloro CloMiphene
- Molecular formula
- C26H29NO
- Molecular weight
- 371.51
Names & synonyms
Eipw 103E.I.P.W. 103Eipw-103RefChem:13640419957-52-92-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamineDeschloro Clomiphene2-(4-(1,2-Diphenylvinyl)phenoxy)-N,N-diethylethanamine2-[4-(1,2-Diphenylethenyl)phenoxy]-N,N-diethyl-ethanamineDeschloro Clomiphene (E/Z Mixture)U6PB68Y8K42-(4-(1,2-Diphenylethenyl)phenoxy)-N,N-diethylethanamine
Show more names
Clomiphene Impurity 7Clomifene EP Impurity Aα-[4-(2-DiethylaMinoethoxy)phenyl]stilbeneN,N-Diethyl-2-[p-(1,2-diphenylvinyl)phenoxy]ethylamine
2-[4-(1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamineVA7AM6TA2JDeschloroclomiphene, (E)-UNII-U6PB68Y8K4Ethanamine, 2-[4-(1,2-diphenylethenyl)phenoxy]-N,N-diethyl-SCHEMBL170781842-[p-(1,2-Diphenylvinyl)phenoxy]-triethylamineClomifene Citrate EP Impurity A(Deschloro Clomiphene)
Database identifiers
- CAS
19957-52-9
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 485.6 · 485.6±33.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.6 · 9.60±0.25(Predicted)
- form
- Oil
- color
- Brown to Very Dark Orange
- Stability
- Light Sensitive
- FDA UNII
- 6 PB68Y8K4 · U6PB68Y8K4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesClomiphene (C587025) analog, with estrogenic activity. Also used in the preparation of antifertility agents.
UsesClomiphene (C587025) analog, with estrogenic activity. Deschloro CloMiphene can be used in the preparation of antifertility agents.
Upstream & downstream products
Downstream products
Suppliers17 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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