盐酸安其敏

盐酸安其敏 基本信息
CAS号 129-74-8 分子式 C28H35Cl3N2
分子量 505.95000 精确质量  504.18700
PSA  6.48000 LogP  8.02450

基本信息 展开↓

CAS号:
129-74-8
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分子式:
C28H35Cl3N2
分子量:
505.95000
中文名称:
盐酸安其敏
英文名称:
anileridine dihydrochloride
中文别名:
盐酸安其敏;
盐酸布可立嗪;
布克立嗪/1-(对-叔丁苄基)-4-(对-氯代二苯甲基)哌嗪
英文别名:
anileridine dihydrochloride;
Buclizine Dihydrochloride;
BUCLIZINE, DIHYDROCHLORIDE;
1-(4-(tert-Butyl)benzyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine dihydrochloride
精确分子量/精确质量:
504.18700
极性分子表面积/PSA:
6.48000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00242700
EINECS:
204-962-4
InChI:
InChI=1/C28H33ClN2.2ClH/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24;;/h4-16,27H,17-21H2,1-3H3;2*1H

物化性质展开↓

外观与性状:
灰白色粉末
熔点:
230-240ºC
沸点:
520.1ºC at 760 mmHg
闪点:
268.3ºC
蒸汽压:
6.44E-11mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
其它信息:

1.熔点(℃):230-240。

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL0280000
CHEMICAL NAME :
Piperazine, 1-(p-tert-butylbenzyl)-4-(p-chloro-alpha-phenylbenzyl )-, dihydrochloride
CAS REGISTRY NUMBER :
129-74-8
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C28-H33-Cl-N2.2Cl-H
MOLECULAR WEIGHT :
506.00
WISWESSER LINE NOTATION :
T6N DNTJ AYR&R DG& D1R DX1&1&1 &GH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - other changes
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,653,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - other changes
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,653,1954 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
360 mg/kg
SEX/DURATION :
female 10-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 95,109,1966
毒理学数据:

口服-小鼠 LD50: 2100 毫克/公斤; 腹腔-小鼠 LD50: 430 毫克/公斤。

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