氢溴酸右美沙芬

氢溴酸右美沙芬 基本信息
CAS号 125-69-9 分子式 C18H25NO.BrH
分子量 352.31662 精确质量 　351.11978
PSA 　12.47000 LogP 　4.27940
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等价的CAS号：

125-68-8,125-69-9,6031-86-3,111766-17-7
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 结构与计算数据

基本信息 展开↓

CAS号：
125-69-9
3D弹球模型：
立即前往扯扯看
分子式：
C18H25NO.BrH
分子量：
352.31662
中文名称：
氢溴酸右美沙芬
英文名称：
Morphinan, 3-methoxy-17-methyl-, hydrobromide (1:1), (9α,13α,14α)-
中文别名：
氢溴酸右美沙芬;
3-甲氧基-17-甲基-(92,132,142)吗啡喃氢溴酸
英文别名：
Morphinan, 3-methoxy-17-methyl-, hydrobromide (1:1), (9α,13α,14α)-;
9α,13α,14α-Morphinan, 3-methoxy-17-methyl-, hydrobromide (8CI);
Morphinan, 3-methoxy-17-methyl-, hydrobromide, (9α,13α,14α)- (9CI);
Alpha-dextromethorphan;
Antussan;
Codiphan;
Coldex-D;
Colfed;
Delsym;
Demorphan;
Demorphine;
Detosiv Slow Release;
Dextromethorphan bromide;
Dextromethorphan hydrobromide;
Dextroramin P;
Dormetan;
Dormethan;
Medicon;
Methorate hydrobromide;
Metrorat;
Nocuf;
Ro 1-5470;
Romilar;
Tosse Sedativo;
Tusilan;
Tussade;
d-3-Methoxy-N-methylmorphinan hydrobromide;
d-Methorphan hydrobromide
精确分子量/精确质量：
351.11978
极性分子表面积/PSA：
12.47000
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。
贝尔斯坦号/MDL：
MFCD00269810
EINECS：
204-750-1
InChI：
InChI=1/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1

生产制备方法及用途展开↓

制备方法

本品系中枢镇咳药,适用于各种原因引起的干咳。

用途简介

用途

用作中枢神经镇咳药。

物化性质展开↓

沸点：
486.1ºC at 760 mmHg
闪点：
247.8ºC
蒸汽压：
2.92E-10mmHg at 25°C

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2939190090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD0222000
CHEMICAL NAME :
Morphinan, 3-methoxy-N-methyl-, hydrobromide, (+)-
CAS REGISTRY NUMBER :
125-69-9
LAST UPDATED :
199603
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C18-H25-N-O.Br-H
MOLECULAR WEIGHT :
352.36
WISWESSER LINE NOTATION :
T6 G666/FQ 2AF Q FX ONT&TTJ IO1 O &EH -R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - changes in motor activity (specific assay) Behavioral - ataxia
REFERENCE :
PEDIAU Pediatrics. (American Academy of Pediatrics, P.O. Box 1034, Evanston, IL 60204) V.1- 1948- Volume(issue)/page/year: 59,117,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
57 gm/kg/5Y-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - hallucinations, distorted perceptions Behavioral - ataxia
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 13,174,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - effect, not otherwise specified
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: 109,189,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
423 mg/kg
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 6,1207,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
165 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: 109,189,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #3031377
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
34 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 6,1207,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
157 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,688,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
30 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: 19,1916,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
19800 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 6,1207,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea
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: 109,189,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
336 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 6,1207,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 6,1207,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 20,1706,1972 *** REVIEWS *** TOXICOLOGY REVIEW JRPMAP Journal of Reproductive Medicine. (2 Jacklynn Ct., St. Louis, MO 63132) V.3- 1969- Volume(issue)/page/year: 12,27,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80399 No. of Facilities: 262 (estimated) No. of Industries: 4 No. of Occupations: 9 No. of Employees: 3682 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80399 No. of Facilities: 213 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 1826 (estimated) No. of Female Employees: 1049 (estimated)

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：81.76

2、  摩尔体积（cm3/mol）：243.8

3、  等张比容（90.2K）：631.2

4、  表面张力（dyne/cm）：44.9

5、  极化率（10-24cm3）：32.41

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