麦角新碱

麦角新碱 基本信息
CAS号 60-79-7 分子式 C19H23N3O2
分子量 325.40500 精确质量  325.17900
PSA  68.36000 LogP  1.86340

等价的CAS号:

60-79-7,479-00-5,10238-36-5,50485-10-4,53110-14-8,111322-13-5

基本信息 展开↓

CAS号:
60-79-7
3D弹球模型:
立即前往扯扯看
分子式:
C19H23N3O2
分子量:
325.40500
中文名称:
麦角新碱
英文名称:
Ergometrine
中文别名:
麦角新碱;
爱谷米特邻碱
英文别名:
Ergometrine;
secacornin;
secometrin;
ergotocine;
Ergobasin;
ergometrin;
Ergotrane;
basergin;
ERGONOVINE;
ermetrine
精确分子量/精确质量:
325.17900
极性分子表面积/PSA:
68.36000
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。
InChI:
The Key: WVVSZNPYNCNODU-UHFFFAOYSA-N

安全信息展开↓

危险类别码:
23/24/25
安全说明:
36/37/39-45

合成路线查看所有的合成路线

  • 100-46-9

    苯甲胺

  • +

  • 479-00-5

    麦角异新碱

  • 60-79-7

    麦角新碱

  • 82-58-6

    麦角酸

  • 479-00-5

    麦角异新碱

  • +

  • 60-79-7

    麦角新碱

  • 479-00-5

    麦角异新碱

  • 60-79-7

    麦角新碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE5075000
CHEMICAL NAME :
Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-meth yl-
CAS REGISTRY NUMBER :
60-79-7
LAST UPDATED :
199706
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C19-H23-N3-O2
MOLECULAR WEIGHT :
325.45
WISWESSER LINE NOTATION :
T C6656 1A P GN LM CUTT&&J EVMY1&1Q G1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
93 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
SAMJAF South African Medical Journal. (Medical Assoc. of South Africa, Secy., P.O. Box 643, Cape Town, S. Africa) V.6- 1932- Volume(issue)/page/year: 46,2052,1972
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
138 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
ADCHAK Archives of Disease in Childhood. (British Medical Journal, POB 560B, Kennebunkport, ME 04046) V.1- 1926- Volume(issue)/page/year: 55,68,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
176 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
JOGBAS Journal of Obstetrics and Gynaecology of the British Commonwealth. (London, UK) V.68-81, 1961-74. For publisher information, see BJOGAS. Volume(issue)/page/year: 79,764,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 119,1302,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
144 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
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: 105,130,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
144 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 98,335,1954
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
HXPHAU Handbuch der Experimentellen Pharmakologie. (Berlin, Ger.) New series: V.1-49, 1935-78. For publisher information, see HEPHD2. Volume(issue)/page/year: 6,180,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZIAQ "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973 Volume(issue)/page/year: -,107,1973
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 119,1302,1935

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