1H-Pyrido[3,4-b]indole,2,3,4,9-tetrahydro-6-methoxy-, hydrochloride (1:1)
- 中文别名：-甲氧基-1,2,3,4-四氢-9H-吡啶并[3,4-b]吲哚盐酸盐
- 中文释义：2,3,4,9-四氢-6-甲氧基-1H-吡咯[3,4-B]吲哚(HCL);6-甲氧基-1,2,3,4-四氢-9H-吡啶并[3,4-B]吲哚盐酸盐
- 英文别名：6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole hydrochloride;
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole,hydrochloride
- CAS No.：35764-54-6
- 分子式：
C12H14N2O.ClH
- 分子量：238.71
- 精确分子量：238.08700
- PSA：37.05000
- MDL：MFCD00075570
- InChI：The Key: KRMJEIDSHZEQHJ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.198g/cm3
- 熔点：
- 288-290ºC(lit.)
- 沸点：
- 388.6ºC at 760mmHg
- 闪点：
- 188.8ºC
安全信息
- 密度：
- 1.198g/cm3
- 熔点：
- 288-290ºC(lit.)
- 沸点：
- 388.6ºC at 760mmHg
- 闪点：
- 188.8ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UV0795000
- CHEMICAL NAME :
- 1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-, monohydrochloride
- CAS REGISTRY NUMBER :
- 35764-54-6
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C12-H14-N2-O.Cl-H
- MOLECULAR WEIGHT :
- 238.74
- WISWESSER LINE NOTATION :
- T B656 EN HMT&&J LO1 &GH
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 :
- 595 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,42,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 235 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: 28,42,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 112 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,42,1978
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:2
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积37
7.重原子数量:16
8.表面电荷:0
9.复杂度:234
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
