夾可鹼

夾可鹼 基本信息
CAS号 6870-67-3 分子式 C18H25NO6
分子量 351.39400 精确质量  351.16800
PSA  88.60000 LogP  0.34190

基本信息 展开↓

CAS号:
6870-67-3
3D弹球模型:
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分子式:
C18H25NO6
分子量:
351.39400
中文名称:
夾可鹼
英文名称:
Jacobine
中文别名:
夾可鹼
英文别名:
Jacobine;
(15R,20S)-15,20-Dihydro-15,20-epoxy-12-hydroxysenecionan-11,16-dione
精确分子量/精确质量:
351.16800
极性分子表面积/PSA:
88.60000
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: IAPHXJRHXBQDQJ-WKMWQDDRSA-N

物化性质展开↓

密度:
1.33g/cm3
熔点:
228ºC
沸点:
574.1ºC at 760 mmHg
闪点:
301ºC
折射率:
1.583

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY5775000
CHEMICAL NAME :
Jacobine
CAS REGISTRY NUMBER :
6870-67-3
BEILSTEIN REFERENCE NO. :
0054580
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C18-H25-N-O6
MOLECULAR WEIGHT :
351.44
WISWESSER LINE NOTATION :
T55-12- 1A Q EN IOVX OVO BUTJ M1 NQ N1 K-& BT3OX CHJ C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
77 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
1 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 45,3125,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,275,1976 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 10,275,1976 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1171,1976
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