左美沙酮
- 中文名称:
- 左美沙酮
- 中文别名:
- 左美沙酮
- 英文名称:
- R(-)-METHADONE HYDROCHLORIDE OPIOID AGON IST
- 英文别名:
- (6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one;
Levadone;
l-methadone;
Levothyl;
L-Polamidon;
Polamivet;
l-Polamivet;
Levomethadone
- CAS No.:
- 125-58-6
- 分 子 式:
-
C21H27NO
- 分 子 量:
- 309.44518
- 精确分子量:
- 309.20900
- PSA:
- 20.31000
- EINECS:
- MJ5990000
- InChI:
- The Key: USSIQXCVUWKGNF-QGZVFWFLSA-N3
- SDS:
- 查看
左美沙酮 物化性质
- 密度:
- 1.009g/cm3
- 熔点:
- 99-100ºC
- 沸点:
- 423.7ºC at 760mmHg
- 闪点:
- 126.5ºC
- 折射率:
- 1.538
- 蒸汽压:
- 2.2E-07mmHg at 25°C
左美沙酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MJ5990000
- CHEMICAL NAME :
- 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, L-
- CAS REGISTRY NUMBER :
- 125-58-6
- BEILSTEIN REFERENCE NO. :
- 3213668
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C21-H27-N-O
- MOLECULAR WEIGHT :
- 309.49
- WISWESSER LINE NOTATION :
- 2VXR&R&1Y1&N1&1
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 :
- 97 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 26500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1600 ug/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - other effects on male
MUTATION DATA
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Rodent - rat Testis
- DOSE/DURATION :
- 50 umol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year:
27,123,1978
左美沙酮 海关数据
中国海关编码:2922399090
- 概述:
- 2922399090 其他氨基醛、氨基酮及其盐(包括氨基醌及其盐,但含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
- 摘要/Summary:
- 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
左美沙酮 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:95.91
2、 摩尔体积(cm3/mol):306.4
3、 等张比容(90.2K):756.6
4、 表面张力(dyne/cm):37.1
5、 极化率(10-24cm3):38.02
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:0
3.氢键受体数量:2
4.可旋转化学键数量:7
5.互变异构体数量:2
6.拓扑分子极性表面积20.3
7.重原子数量:23
8.表面电荷:0
9.复杂度:346
10.同位素原子数量:0
11.确定原子立构中心数量:1
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:1