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Substance Name: Clomifene [INN:BAN]
RN: 911-45-5
UNII: 1HRS458QU2
InChIKey: GKIRPKYJQBWNGO-UHFFFAOYSA-N
Note
- A triphenyl ethylene stilbene derivative which is an estrogen agonist or antagonist depending on the target tissue. Note that ENCLOMIPHENE and ZUCLOMIPHENE are the (E) and (Z) isomers of Clomiphene respectively.
Molecular Formula
- C26-H28-Cl-N-O
Molecular Weight
- 405.9662
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Estrogen Antagonists
- Estrogen Receptor Modulators
- Fertility Agents
- Fertility Agents, Female
- Hormone
- Hormone Antagonists
- Hormones, Hormone Substitutes, and Hormone Antagonists
- Human Data
- Mutation Data
- Reproductive Control Agents
- Reproductive Effect
- Selective Estrogen Receptor Modulators
- Tumor Data
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Names and Synonyms
Name of Substance
- Clomifene [INN:BAN]
- Clomiphene
MeSH Heading
- Clomiphene
Synonyms
- 1-(p-(beta-Diethylaminoethoxy)-phenyl)-1,2-diphenylchloroethylene
- 2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine
- 2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
- 2-(p-(beta-Chloro-alpha-phenylstyryl)phenoxy)-triethylamine
- Cisclomiphene
- Clomifene
- Clomifeno
- Clomifeno [INN-Spanish]
- Clomifenum
- Clomifenum [INN-Latin]
- Clomiphene
- Clomiphene B
- EINECS 213-008-6
- Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-
- HSDB 3039
- MER 41
- NSC 35770
- Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-
- UNII-1HRS458QU2
Systematic Names
- Clomifene
- Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-
- Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-
Registry Numbers
CAS Registry Number
- 911-45-5
FDA UNII
- 1HRS458QU2
Related Registry Number
- 50-41-9 (citrate (1:1))
System Generated Number
- 0000911455
Structure Descriptors
InChI
1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3InChIKey
GKIRPKYJQBWNGO-UHFFFAOYSA-NSmiles
CCN(CC)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 390mg/kg (390mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 20, Pg. 419, 1961. |
| mouse | LD50 | oral | 1700mg/kg (1700mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 20, Pg. 419, 1961. |
| rat | LD50 | oral | 5750mg/kg (5750mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 14(8), Pg. 1293, 1972. | |
| women | TDLo | oral | 5mg/kg/5D-I (5mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, IRRITATIVE: AFTER SYSTEMIC EXPOSURE" | British Medical Journal. Vol. 292, Pg. 380, 1986. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| log P (octanol-water) | 6.740 | (none) | EST | |
| Atmospheric OH Rate Constant | 1.68E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.