克罗米芬

CAS 911-45-5C26H28ClNOMW 406.0

克罗米芬（CAS 911-45-5）：分子式 C26H28ClNO、分子量 406.0。

产品概览

CAS号	911-45-5
分子式	C26H28ClNO
分子量	406.0
熔点	116.5-118
LogP	7.2
应用领域	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'.

应用领域

登记用途：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'.。

技术档案

这个产品是什么

克罗米芬是一种化工化合物，登记 CAS 号为 911-45-5，分子式 C26H28ClNO（分子量 406.0）。

识别信息

登记 CAS 号：911-45-5

其分子式 C26H28ClNO 由 26 个碳、28 个氢、1 个氯、1 个氮、1 个氧组成。

别名/同义词：克罗米芬 · clomifene

常见问题

克罗米芬的 CAS 号是多少？

克罗米芬的 CAS 登记号为 911-45-5。

克罗米芬的分子式与分子量是多少？

分子式 C26H28ClNO，分子量 406.0。

克罗米芬还有哪些别名？

别名/同义词：克罗米芬、clomifene。

克罗米芬的登记用途是什么？

PubChem 公开数据

克罗米芬（CAS 911-45-5）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

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

计算分子描述符

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

在册的理化数值

Melting Point	116.5-118
Melting Point	MP: 116.5-118 °C /CITRATE/
Solubility	4.14e-04 g/L
LogP	7.2

在册的记载用途

同义词与商品名

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)-

GHS 危害分类

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]

公开数据库对它的描述

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.

物理形态与操作说明

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。