clomifene (CAS 911-45-5) — formula C26H28ClNO, molecular weight 406.0; category organic chemicals.
| CAS Number | 911-45-5 |
|---|---|
| Molecular Formula | C26H28ClNO |
| Molecular Weight | 406.0 |
| Melting Point | 116.5-118 |
| LogP | 7.2 |
| Applications | Uses: MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >50, Use (kg) in USA (2002): 363, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Consumption (g per capita) in the USA (2002): 0.00129, Calculated removal (%): 97.5, Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation., Use Classification: Pharmaceuticals, Methods of Manufacturing: CONDENSATION OF 4-HYDROXYBENZOPHENONE WITH 2-(DIETHYLAMINO)ETHYL CHLORIDE FOLLOWED BY TREATMENT WITH BENZYL MAGNESIUM CHLORIDE AND DEHYDRATION TO GIVE 2-(P-(1, 2-DIPHENYLVINYL)PHENOXY)TRIETHYLAMINE WHICH IS CHLORINATED AND TREATED WITH CITRIC ACID, CITRATE, Formulations, Preparations: ...IN THE US, IT IS AVAIL AS A USP GRADE CONTAINING 98-101% (ON THE BASIS OF THE ANHYDROUS MATERIAL) OF CLOMIPHENE CITRATE AS A MIXT OF THE CIS AND TRANS ISOMERS, CONTAINING 1% MAX WATER, 0.002% MAX HEAVY METALS AND 30-50% OF THE TRANS ISOMER. IT IS ALSO AVAIL IN 50 MG TABLETS CONTAINING 93-107% OF THE STATED AMT OF CLOMIPHENE CITRATE., CLOMIPHENE CITRATE, TRADE NAMES: CLOMID, CLOMIFENO, CLOMIVID, CLOMPHID, CHLORAMIPHENE, DYNERIC, GENOZYM, IKACLOMIN, MER-41, MRL 41, MRL, 41, NSC 35770, OMIFIN, Consumption Patterns: ESSENTIALLY 100% AS A MEDICINAL (1976), U.S. Production: (1972) PROBABLY LESS THAN 4.5X10+5 GRAMS, (1975) PROBABLY LESS THAN 4.54X10+5 GRAMS, General Manufacturing Information: DUE TO ETHYLENE MOIETY IN MOLECULE, CLOMIPHENE IS A MIXTURE OF TWO ISOMERS. CIS- FORM POSSESSES ANTIESTROGENIC ACTIVITY, WHILE TRANS- FORM IS ESTROGENIC. THEREFORE, MIXTURE POSSESSES LESS THAN ONE HALF OF EITHER ACTIVITY., THIS NONSTEROIDAL AGENT IS A MIXT OF TWO ISOMERS IN APPROX A 1:1 RATIO AND IS RELATED CHEMICALLY TO CHLOROTRIANISENE., CLOMIPHENE CITRATE CAN BE SEPARATED INTO ITS CIS AND TRANS ISOMERS, ZUCLOMIPHENE AND ENCLOMIPHENE. IN THE US, ZUCLOMIPHENE...WAS PREVIOUSLY CALLED 'TRANSCLOMIPHENE', AND ENCLOMIPHENE...WAS PREVIOUSLY CALLED 'CISCLOMIPHENE'. |
| Category | Organic Chemicals |
Documented applications: Uses: MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >50, Use (kg) in USA (2002): 363, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Consumption (g per capita) in the USA (2002): 0.00129, Calculated removal (%): 97.5, Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation., Use Classification: Pharmaceuticals, Methods of Manufacturing: CONDENSATION OF 4-HYDROXYBENZOPHENONE WITH 2-(DIETHYLAMINO)ETHYL CHLORIDE FOLLOWED BY TREATMENT WITH BENZYL MAGNESIUM CHLORIDE AND DEHYDRATION TO GIVE 2-(P-(1, 2-DIPHENYLVINYL)PHENOXY)TRIETHYLAMINE WHICH IS CHLORINATED AND TREATED WITH CITRIC ACID, CITRATE, Formulations, Preparations: ...IN THE US, IT IS AVAIL AS A USP GRADE CONTAINING 98-101% (ON THE BASIS OF THE ANHYDROUS MATERIAL) OF CLOMIPHENE CITRATE AS A MIXT OF THE CIS AND TRANS ISOMERS, CONTAINING 1% MAX WATER, 0.002% MAX HEAVY METALS AND 30-50% OF THE TRANS ISOMER. IT IS ALSO AVAIL IN 50 MG TABLETS CONTAINING 93-107% OF THE STATED AMT OF CLOMIPHENE CITRATE., CLOMIPHENE CITRATE, TRADE NAMES: CLOMID, CLOMIFENO, CLOMIVID, CLOMPHID, CHLORAMIPHENE, DYNERIC, GENOZYM, IKACLOMIN, MER-41, MRL 41, MRL, 41, NSC 35770, OMIFIN, Consumption Patterns: ESSENTIALLY 100% AS A MEDICINAL (1976), U.S. Production: (1972) PROBABLY LESS THAN 4.5X10+5 GRAMS, (1975) PROBABLY LESS THAN 4.54X10+5 GRAMS, General Manufacturing Information: DUE TO ETHYLENE MOIETY IN MOLECULE, CLOMIPHENE IS A MIXTURE OF TWO ISOMERS. CIS- FORM POSSESSES ANTIESTROGENIC ACTIVITY, WHILE TRANS- FORM IS ESTROGENIC. THEREFORE, MIXTURE POSSESSES LESS THAN ONE HALF OF EITHER ACTIVITY., THIS NONSTEROIDAL AGENT IS A MIXT OF TWO ISOMERS IN APPROX A 1:1 RATIO AND IS RELATED CHEMICALLY TO CHLOROTRIANISENE., CLOMIPHENE CITRATE CAN BE SEPARATED INTO ITS CIS AND TRANS ISOMERS, ZUCLOMIPHENE AND ENCLOMIPHENE. IN THE US, ZUCLOMIPHENE...WAS PREVIOUSLY CALLED 'TRANSCLOMIPHENE', AND ENCLOMIPHENE...WAS PREVIOUSLY CALLED 'CISCLOMIPHENE'..
clomifene is a carbon-based organic compound with CAS registry number 911-45-5 and molecular formula C26H28ClNO (molecular weight 406.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 911-45-5
Its molecular formula C26H28ClNO comprises 26 C, 28 H, 1 Cl, 1 N, 1 O atoms.
Also known as: clomifene · 克罗米芬
Category: organic chemicals
The CAS registry number of clomifene is 911-45-5.
Molecular formula C26H28ClNO, molecular weight 406.0.
It is also registered under: clomifene, 克罗米芬.
Recorded applications: Uses: MEDICATION (VET), MEDICATION, Use (kg, approx.) in Germany (2009): >50, Use (kg) in USA (2002): 363, Consumption (g per capita, approx.) in Germany (2009): 0.000611, Consumption (g per capita) in the USA (2002): 0.00129, Calculated removal (%): 97.5, Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation., Use Classification: Pharmaceuticals, Methods of Manufacturing: CONDENSATION OF 4-HYDROXYBENZOPHENONE WITH 2-(DIETHYLAMINO)ETHYL CHLORIDE FOLLOWED BY TREATMENT WITH BENZYL MAGNESIUM CHLORIDE AND DEHYDRATION TO GIVE 2-(P-(1, 2-DIPHENYLVINYL)PHENOXY)TRIETHYLAMINE WHICH IS CHLORINATED AND TREATED WITH CITRIC ACID, CITRATE, Formulations, Preparations: ...IN THE US, IT IS AVAIL AS A USP GRADE CONTAINING 98-101% (ON THE BASIS OF THE ANHYDROUS MATERIAL) OF CLOMIPHENE CITRATE AS A MIXT OF THE CIS AND TRANS ISOMERS, CONTAINING 1% MAX WATER, 0.002% MAX HEAVY METALS AND 30-50% OF THE TRANS ISOMER. IT IS ALSO AVAIL IN 50 MG TABLETS CONTAINING 93-107% OF THE STATED AMT OF CLOMIPHENE CITRATE., CLOMIPHENE CITRATE, TRADE NAMES: CLOMID, CLOMIFENO, CLOMIVID, CLOMPHID, CHLORAMIPHENE, DYNERIC, GENOZYM, IKACLOMIN, MER-41, MRL 41, MRL, 41, NSC 35770, OMIFIN, Consumption Patterns: ESSENTIALLY 100% AS A MEDICINAL (1976), U.S. Production: (1972) PROBABLY LESS THAN 4.5X10+5 GRAMS, (1975) PROBABLY LESS THAN 4.54X10+5 GRAMS, General Manufacturing Information: DUE TO ETHYLENE MOIETY IN MOLECULE, CLOMIPHENE IS A MIXTURE OF TWO ISOMERS. CIS- FORM POSSESSES ANTIESTROGENIC ACTIVITY, WHILE TRANS- FORM IS ESTROGENIC. THEREFORE, MIXTURE POSSESSES LESS THAN ONE HALF OF EITHER ACTIVITY., THIS NONSTEROIDAL AGENT IS A MIXT OF TWO ISOMERS IN APPROX A 1:1 RATIO AND IS RELATED CHEMICALLY TO CHLOROTRIANISENE., CLOMIPHENE CITRATE CAN BE SEPARATED INTO ITS CIS AND TRANS ISOMERS, ZUCLOMIPHENE AND ENCLOMIPHENE. IN THE US, ZUCLOMIPHENE...WAS PREVIOUSLY CALLED 'TRANSCLOMIPHENE', AND ENCLOMIPHENE...WAS PREVIOUSLY CALLED 'CISCLOMIPHENE'..
Category: Organic Chemicals.
Independent reference data for clomifene (CAS 911-45-5), compiled from public chemistry databases.
| CAS Registry Number | 911-45-5 |
|---|---|
| PubChem CID | 2800 |
| Molecular formula | C26H28ClNO |
| IUPAC name | 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine |
| UNII (FDA) | 1HRS458QU2 |
| Molecular Weight | 406.0 |
|---|---|
| XLogP3 | 7.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 405.1859422 |
| Monoisotopic Mass | 405.1859422 |
| Topological Polar Surface Area | 12.5 |
| Heavy Atom Count | 29 |
| Melting Point | 116.5-118 |
|---|---|
| Melting Point | MP: 116.5-118 °C /CITRATE/ |
| Solubility | 4.14e-04 g/L |
| LogP | 7.2 |
clomiphene; 911-45-5; Clomiphene B; DTXSID1022843; Chlomaphene; Chloramifene; Clomifen; 2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine; 1HRS458QU2; 2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine; 2-(p-(beta-Chloro-alpha-phenylstyryl)phenoxy)-triethylamine; Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-; Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-; CHEBI:3752; DTXCID202843; Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-
| Reported hazard statements | H302 (100%), H351 (100%), H373 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
clomifene · CAS 911-45-5 · C26H28ClNO. UNII 1HRS458QU2. Melting Point: 116.5-118; Melting Point: MP: 116.5-118 °C /CITRATE/; Solubility: 4.14e-04 g/L.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 克罗米芬