阿普比妥

阿普比妥 基本信息
CAS号 77-02-1 分子式 C10H14N2O3
分子量 210.23000 精确质量  210.10000
PSA  75.27000 LogP  1.22850

基本信息 展开↓

CAS号:
77-02-1
3D弹球模型:
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分子式:
C10H14N2O3
分子量:
210.23000
中文名称:
阿普比妥
英文名称:
aprobarbital
中文别名:
阿普比妥;
烯丙异丙巴比妥
英文别名:
aprobarbital;
Numal;
Aprozal;
Aprobarbitone;
Allonal;
Aprobarbital;
Allypropymal;
Allylpropymal;
Aprobarbita;
Alurate;
5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione;
Allional;
5-allyl-5-isopropylbarbituric acid
精确分子量/精确质量:
210.10000
极性分子表面积/PSA:
75.27000
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。
InChI:
The Key: UORJNBVJVRLXMQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.086 g/cm3
折射率:
1.476
存储条件/存储方法:
库房通风低温干燥,与食品原料分开存放

合成路线查看所有的合成路线

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CP8925000
CHEMICAL NAME :
Barbituric acid, 5-allyl-5-isopropyl-
CAS REGISTRY NUMBER :
77-02-1
BEILSTEIN REFERENCE NO. :
0180858
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C10-H14-N2-O3
MOLECULAR WEIGHT :
210.26
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY1&1 F2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,389,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 8,25,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932 *** REVIEWS *** TOXICOLOGY REVIEW FNSCA6 Forensic Science. (Lausanne, Switzerland) V.1-11, 1972-78. For pub lisher information, see FSINDR. Volume(issue)/page/year: 2,67,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84585 No. of Facilities: 805 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 805 (estimated)

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