- 中文别名：6-烯丙基-6,7-二氢-5H-二苯并[c,e]氮杂卓氯化物
- 中文释义：6-烯丙基-6,7-二氢-5H-二苯并[c,e]氮杂卓氯化物;phosphoric acid,6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
- 英文别名：phosphoric acid,6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine;
6-Allyl-6,7-dihydro-5H-dibenz[c,e]azepin,Dihydrogenphosphat;
Ilidar;
6-allyl-6,7-dihydro-5H-dibenz[c,e]azepinium dihydrogen phosphate;
azephine phosphate;
Azephine;
Azeptane phosphate;
Ro 2-3248;
6-allyl-6,7-dihydro-5H-dibenz[c,e]azepine,dihydrogenphosphate;
Azepine phosphate;
Azapetine phosphate;
Ilidar phosphate;
EINECS 204-997-5 - cas No.：130-83-6
- 分子式：C17H20NO4P
- 分子量：333.318761
- 精确分子量：333.11300
- PSA：90.81000
- InChI：The Key: SRNXLNNBIYZIHB-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 沸点：
- 364.5ºC at 760mmHg
- 闪点：
- 157.1ºC
- 蒸汽压：
- 1.67E-05mmHg at 25°C
- 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
安全信息
- 沸点：
- 364.5ºC at 760mmHg
- 闪点：
- 157.1ºC
- 蒸汽压：
- 1.67E-05mmHg at 25°C
- 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
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HN7525000
- CAS REGISTRY NUMBER :
- 130-83-6
- LAST UPDATED :
- 199009
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C17-H17-N.H3-O4-P
- MOLECULAR WEIGHT :
- 333.35
- WISWESSER LINE NOTATION :
- T B676 IN&T&J I2U1 &P-O4
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 :
- 460 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: 103,10,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 210 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: 103,10,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 725 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: 103,10,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 26 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: 103,10,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 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: 103,10,1951
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - urine volume increased
- 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: 106,14,1952
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 27 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: 103,10,1951
- 毒理学数据：
口服-小鼠LD50: 460毫克/公斤; 腹腔-小鼠 LD50： 210 毫克/公斤。
海关数据
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%
分子结构与计算化学数据
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:3
3.氢键受体数量:5
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积81
7.重原子数量:23
8.表面电荷:0
9.复杂度:311
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:2