哌唑嗪

哌唑嗪 基本信息
CAS号 19216-56-9 分子式 C19H21N5O4
分子量 383.40100 精确质量 　383.15900
PSA 　107.68000 LogP 　1.71760
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
19216-56-9
分子式：
C19H21N5O4
分子量：
383.40100
中文名称：
哌唑嗪
英文名称：
prazosin
中文别名：
哌唑嗪;
1-(4-氨基-6,7-二甲氧基-2-喹唑啉基-4-(2-呋喃基羰基))哌嗪
英文别名：
prazosin;
[14C]-Prazosin;
Prazosinum [INN-Latin];
Minipress;
(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(furan-2-yl)methanone;
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone;
[125I]-Prazosin;
Prazosinum;
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazinyl furan-2-yl ketone;
[Bodipyl-FL]-Prazosin;
Prazosine;
Prazosina;
Furazosin;
Prazosina [INN-Spanish];
2-[4-(2-furoyl)-piperazin-1-yl]-4-amino-6,7-dimethoxy-quinazoline;
Prazosine [INN-French];
Lentopres
精确分子量/精确质量：
383.15900
极性分子表面积/PSA：
107.68000
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。
EINECS：
242-885-8
InChI：
InChI=1/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)

物化性质展开↓

密度：
1.352g/cm3
熔点：
278-280ºC
沸点：
638.4ºC at 760mmHg
闪点：
339.9ºC
折射率：
1.651
蒸汽压：
3.4E-16mmHg at 25°C
存储条件/存储方法：
库房通风低温干燥

安全信息展开↓

海关代码：
2934999090

合成路线查看所有的合成路线

  • 23680-84-4

    4-氨基-2-氯-6,7-二甲氧基喹唑啉

  • →

  • 19216-56-9

    哌唑嗪

  • 527-69-5

    呋喃甲酰氯

  • +

  • 60547-97-9

    2-哌嗪基-4-氨基-6,7-二甲氧基喹唑啉

  • →

  • 19216-56-9

    哌唑嗪

  • 65679-30-3

    4-amino-2-(4-ethoxycarbonyl-1-piperazinyl)-6,7-dimethoxy-quinazoline

  • →

  • 19216-56-9

    哌唑嗪

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA1300000
CHEMICAL NAME :
Quinazoline, 4-amino-6,7-dimethoxy-2-(4-(2-furoyl)piperazin-1-yl)-
CAS REGISTRY NUMBER :
19216-56-9
BEILSTEIN REFERENCE NO. :
0768345
LAST UPDATED :
199703
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C19-H21-N5-O4
MOLECULAR WEIGHT :
383.45
WISWESSER LINE NOTATION :
T66 BN DNJ C- AT6N DNTJ DV- BT5OJ&& EZ HO1 IO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
20 ug/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section Gastrointestinal - nausea or vomiting
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 97,455,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
1143 ug/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
AMSVAZ Acta Medica Scandinavica. (Almqvist & Wiksell, POB 45150, S-10430 Stockholm, Sweden) V.52-224, 1919-88. Volume(issue)/page/year: 213,157,1983
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
280 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - hallucinations, distorted perceptions Vascular - BP lowering not characterized in autonomic section
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 2,508,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
1260 ug/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Kidney, Ureter, Bladder - other changes
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,622,1978
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4734418
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 128,129,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 50,182,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg/60D-I
TOXIC EFFECTS :
Cardiac - changes in heart weight Vascular - BP lowering not characterized in autonomic section Endocrine - changes in adrenal weight
REFERENCE :
ETPAEK Experimental and Toxicologic Pathology. (Gustav Fischer Verlag Jena, Postfach 100537, D-07705 Jena, Germany) V.44- 1992- Volume(issue)/page/year: 45,109,1993 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2571 ug/kg
SEX/DURATION :
male 60 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
AMSVAZ Acta Medica Scandinavica. (Almqvist & Wiksell, POB 45150, S-10430 Stockholm, Sweden) V.52-224, 1919-88. Volume(issue)/page/year: 213,319,1983

海关数据查看详细

中国海关编码：2934999090

概述：
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:8

4.可旋转化学键数量:4

5.互变异构体数量:3

6.拓扑分子极性表面积:107

7.重原子数量:28

8.表面电荷:0

9.复杂度:544

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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