7S-天芥菜碱

7S-天芥菜碱 基本信息
CAS号 303-33-3 分子式 C16H27NO5
分子量 313.38900 精确质量 　313.18900
PSA 　79.23000 LogP 　0.26470
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等价的CAS号：

303-33-3,7728-12-3,10594-35-1,59532-50-2
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目录
基本信息 物化性质 安全信息 毒性

基本信息 展开↓

CAS号：
303-33-3
3D弹球模型：
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分子式：
C16H27NO5
分子量：
313.38900
中文名称：
7S-天芥菜碱
英文名称：
HELIOTRINE
中文别名：
7S-天芥菜碱;
天芥菜碱
英文别名：
HELIOTRINE;
(2S,3R)-2-hydroxy-2-isopropyl-3-methoxy-butyric acid-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester);
7S-Heliotrine;
(2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester;
(2S,3R)-2-Hydroxy-2-isopropyl-3-methoxy-buttersaeure-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethylester);
Heliotrin;
(2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl;
9-Heliotrylheliotridine
精确分子量/精确质量：
313.18900
极性分子表面积/PSA：
79.23000
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: LMFKRLGHEKVMNT-UJDVCPFMSA-N

物化性质展开↓

密度：
1.19g/cm3
熔点：
125-126℃
沸点：
450.7ºC at 760mmHg
闪点：
226.4ºC
折射率：
1.541

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 :
MH6125000
CHEMICAL NAME :
Heliotrine
CAS REGISTRY NUMBER :
303-33-3
LAST UPDATED :
199803
DATA ITEMS CITED :
31
MOLECULAR FORMULA :
C16-H27-N-O5
MOLECULAR WEIGHT :
313.44
WISWESSER LINE NOTATION :
T55 AN CUTJ D1OVXQY1&1&Y1&O1 FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
296 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Kidney, Ureter, Bladder - hematuria
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
274 mg/kg
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
251 mg/kg
TOXIC EFFECTS :
Liver - other changes
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
900 mg/kg/9D-I
TOXIC EFFECTS :
Liver - hepatitis (hepatocellular necrosis), zonal Blood - macrocytosis Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
460 mg/kg/6D-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
50 mg/kg
SEX/DURATION :
female 10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
150 mg/kg
SEX/DURATION :
female 16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - homeostasis Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - Central Nervous System
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Dominant lethal test
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Mammal - species unspecified Leukocyte
DOSE/DURATION :
50 umol/L
REFERENCE :
AJBSAM Australian Journal of Biological Sciences. (Commonwealth Scientific and Industrial Research Organization, 314 Albert St., E. Melbourne, Vic. 3002, Australia) V.6- 1953- Volume(issue)/page/year: 21,469,1968 *** REVIEWS *** TOXICOLOGY REVIEW 32XPAD "Teratology," Berry, C.L., and D.E. Poswillo, eds., New York, Springer, 1975 Volume(issue)/page/year: -,49,1975
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