(R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵

(R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵 基本信息
CAS号 5967-73-7 分子式 C21H28ClNO
分子量 345.90600 精确质量 　345.18600
PSA 　20.31000 LogP 　5.09400
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
5967-73-7
3D弹球模型：
立即前往扯扯看
分子式：
C21H28ClNO
分子量：
345.90600
中文名称：
(R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵
英文名称：
(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1)
中文别名：
(R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵
英文别名：
(6R)-6-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride (1: 1);
(-)-Mephobarbital;
(R)-(6-dimethylamino-4,4-diphenylheptan-3-one) hydrochloride;
UNII-5NC67NU76B component ALARQZQTBTVLJV-CYBMUJFWSA-N;
(R)-6-dimethylamino-4,4-diphenyl-3-heptanone hydrochloride;
(-)-Methylphenobarbital;
(-)-Methadone hydrochloride;
(6R)-methadone hydrochloride;
(R)-Methylphenobarbital;
(5S)-mephobarbital;
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-ethyl-1-methyl-5-phenyl-,(R);
(R)-(-)-mephobarbital;
R-(-)-methadone hydrochloride
精确分子量/精确质量：
345.18600
极性分子表面积/PSA：
20.31000
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。
EINECS：
227-756-6
InChI：
The Key: FJQXCDYVZAHXNS-UNTBIKODSA-N

物化性质展开↓

熔点：
220-227ºC
沸点：
423.7ºC at 760 mmHg
闪点：
126.5ºC

合成路线查看所有的合成路线

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    (R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵

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    二苯乙腈

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    (R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵

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    盐酸美沙酮

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  • 15284-15-8

    (+)-Methadone hydrochloride

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    (R)-二甲基(1-甲基-4-氧代-3,3-二苯基己基)氯化铵

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ6475000
CHEMICAL NAME :
3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride, (-)-
CAS REGISTRY NUMBER :
5967-73-7
LAST UPDATED :
199601
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C21-H27-N-O.Cl-H
MOLECULAR WEIGHT :
345.95

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
44 ug/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - analgesia
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: 93,282,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
24 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: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Endocrine - other changes
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 10,260,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
97300 ug/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: 17,321,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
30 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: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 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: 98,305,1950
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
APACAB Acta Physiologica Academiae Scientiarum Hungaricae. (Budapest, Hungary) V.1-60, 1950-82. Volume(issue)/page/year: 4,363,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6483 ug/kg
TOXIC EFFECTS :
Behavioral - analgesia
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: 145,11,1964

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