右羟吗喃

右羟吗喃 基本信息
CAS号 125-73-5 分子式 C21H29NO7
分子量 407.45700 精确质量  407.19400
PSA  138.53000 LogP  0.89570

等价的CAS号:

77-07-6,125-73-5,297-90-5,2616-02-6,59684-82-1

基本信息 展开↓

CAS号:
125-73-5
3D弹球模型:
立即前往扯扯看
分子式:
C21H29NO7
分子量:
407.45700
中文名称:
右羟吗喃
英文名称:
dextrorphan
中文别名:
右羟吗喃;
右啡烷;
右美沙芬杂质B
英文别名:
dextrorphan;
(+)-N-Methylmorphinan-3-ol;
O-Demethyl dextromethorphan;
d-Form of levorphanol;
Dextro-Dromoran;
D-3-hydroxy-N-methylmorphinan;
Racemorphan;
DEXTRORPHAN D-TARTRATE;
(+)-3-hydroxy-N-methylmorphinan;
Dextrorphane;
d-Levorphanol
精确分子量/精确质量:
407.19400
极性分子表面积/PSA:
138.53000
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:
MFCD00864199
EINECS:
204-754-3
PubChem:
24724648
InChI:
The Key: JAQUASYNZVUNQP-PVAVHDDUSA-N

物化性质展开↓

密度:
1.17g/cm3
熔点:
≥195ºC
沸点:
410.4ºC at 760mmHg
闪点:
207.2ºC
折射率:
1.621
蒸汽压:
0mmHg at 25°C
其它信息:

1.性状:白色类白色结晶。

2.熔点():≥195 。

 

安全信息展开↓

危险类别码:
22
危险标志:
Xn: Harmful;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QD1832000
CHEMICAL NAME :
9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-
CAS REGISTRY NUMBER :
125-73-5
BEILSTEIN REFERENCE NO. :
0088093
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C17-H23-N-O
MOLECULAR WEIGHT :
257.41
WISWESSER LINE NOTATION :
T6 G666/FQ 2AF Q FX ONT&TTJ IQ O1 -(+)

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 :
584 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - ataxia Skin and Appendages - hair
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 45,1188,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
21 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Musculoskeletal - other changes Skin and Appendages - hair
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 45,1188,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
276 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 22,1370,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
131 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 22,1370,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
25750 ug/kg
SEX/DURATION :
female 5-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - other postnatal measures or effects
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: 200,255,1977

分子结构与计算化学数据展开↓

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:5

3.氢键受体数量:8

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积139

7.重原子数量:29

8.表面电荷:0

9.复杂度:491

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:5

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

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