diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride

diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride 基本信息
CAS号 63957-56-2 分子式 C21H26ClNO3
分子量 375.88900 精确质量  375.16000
PSA  35.53000 LogP  0.95780

基本信息 展开↓

CAS号:
63957-56-2
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分子式:
C21H26ClNO3
分子量:
375.88900
英文名称:
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride
英文别名:
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride;
Banthine chloride
精确分子量/精确质量:
375.16000
极性分子表面积/PSA:
35.53000
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: WPWZGEGFOHKFHG-UHFFFAOYSA-M

合成路线查看所有的合成路线

  • 74-87-3

    氯甲烷

  • +

  • 24539-72-8

    9-xanthene carboxylic acid

  • 63957-56-2

    diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium,chloride

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BP7640000
CHEMICAL NAME :
Ammonium, diethyl(2-hydroxyethyl)methyl-, chloride, xanthene-9-carboxylate
CAS REGISTRY NUMBER :
63957-56-2
LAST UPDATED :
199012
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C21-H26-N-O3.Cl
MOLECULAR WEIGHT :
375.93
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO2K2&2&1 &Q &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1360 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: 99,245,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
333 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: 99,245,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 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: 99,245,1950

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  • 74-87-3

    氯甲烷

  • 24539-72-8

    9-xanthene carboxylic acid

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