娃兒藤鹼

娃兒藤鹼 基本信息
CAS号 6879-02-3 分子式 C24H27NO4
分子量 393.47500 精确质量  393.19400
PSA  40.16000 LogP  4.48580

基本信息 展开↓

CAS号:
6879-02-3
3D弹球模型:
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分子式:
C24H27NO4
分子量:
393.47500
中文名称:
娃兒藤鹼
英文名称:
Tylocrebrine
中文别名:
娃兒藤鹼
英文别名:
Tylocrebrine;
Tylocerebrine;
[13aR,(+)]-9,11,12,13,13a,14-Hexahydro-2,3,5,6-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline;
(-)-(R)-tylocrebrine;
Tylocrebrin;
Dibenzo(F,H)pyrrolo(1,2-B)isoquinoline,9,11,12,13,13A,14-hexahydro-2,3,5,6-tetramethoxy-,(R)-(9ci);
Dibenzo(F,H)pyrrolo(1,2-B)isoquinoline,9,11,12,13,13A,14-hexahydro-2,3,5,6-tetramethoxy;
Lylocrebrine;
Tylocrebine
精确分子量/精确质量:
393.19400
极性分子表面积/PSA:
40.16000
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: YFEPHJVWLFGWKH-CQSZACIVSA-N

物化性质展开↓

密度:
1.26g/cm3
沸点:
559.9ºC at 760 mmHg
闪点:
160.5ºC
折射率:
1.657
蒸汽压:
1.44E-12mmHg at 25°C

合成路线查看所有的合成路线

  • 1260216-15-6

    1260216-15-6

  • ~63%

  • 6879-02-3

    娃兒藤鹼

  • 40972-86-9

    2,3-二甲氧基苯硼酸

  • 6879-02-3

    娃兒藤鹼

  • 89978-46-1

    1-溴-2-碘-4,5-二甲氧基苯

  • 6879-02-3

    娃兒藤鹼

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YP0175000
CHEMICAL NAME :
Tylocrebrine
CAS REGISTRY NUMBER :
6879-02-3
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C24-H27-N-O4
MOLECULAR WEIGHT :
393.52
WISWESSER LINE NOTATION :
T D5 B6 K666 DNJ MO1 NO1 RO1 SO1

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 :
65 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
12 mg/kg/24D-I
TOXIC EFFECTS :
Gastrointestinal - changes in structure or function of esophagus Gastrointestinal - ulceration or bleeding from large intestine Blood - other changes
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
24 mg/kg/24D-I
TOXIC EFFECTS :
Liver - other changes Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count
REFERENCE :
NCICP* Progress Report Submitted to the National Cancer Institute by Charles Pfizer & Co. Volume(issue)/page/year: -,77,1964

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  • 1260216-09-8

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  • 89978-46-1

    1-溴-2-碘-4,5-二甲氧基苯

  • 40972-86-9

    2,3-二甲氧基苯硼酸

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