希洛班

希洛班 基本信息
CAS号 50528-97-7 分子式 C14H19N3O
分子量 245.32000 精确质量  245.15300
PSA  44.70000 LogP  2.97030

基本信息 展开↓

CAS号:
50528-97-7
3D弹球模型:
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分子式:
C14H19N3O
分子量:
245.32000
中文名称:
希洛班
英文名称:
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
中文别名:
希洛班
英文别名:
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea;
Urea,N-(2,6-dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene);
Urea,1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl);
N-(2,6-Dimethylphenyl)-N'-(1-methyl-2-pyrrolidinylidene)urea;
Xilobamum [INN-Latin];
1-(2,6-dimethyl-phenyl)-3-(1-methyl-pyrrolidin-2-ylidene)-urea;
McN 3113;
3-(1-Methyl-2-pyrrolidinyliden)-1-(2,6-dimethylphenyl)urea;
1-(1-Methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)urea;
XILOBAM
精确分子量/精确质量:
245.15300
极性分子表面积/PSA:
44.70000
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: PAXRPWSXCPTPCA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.136g/cm3
折射率:
1.585

安全信息展开↓

海关代码:
2933990090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YT8850000
CHEMICAL NAME :
Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-(2,6-xylyl)-
CAS REGISTRY NUMBER :
50528-97-7
BEILSTEIN REFERENCE NO. :
0406212
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C14-H19-N3-O
MOLECULAR WEIGHT :
245.36
WISWESSER LINE NOTATION :
T5NYTJ A1 BUNVMR B1 F1

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 :
830 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,1044,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - rigidity (including catalepsy) Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation)
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 233,326,1978

海关数据查看详细

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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