Rachelmycin

Rachelmycin 基本信息
CAS号 69866-21-3 分子式 C37H33N7O8
分子量 703.70000 精确质量 　703.23900
PSA 　210.31000 LogP 　4.62030
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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：
69866-21-3
3D弹球模型：
立即前往扯扯看
分子式：
C37H33N7O8
分子量：
703.70000
中文名称：
Rachelmycin
英文名称：
Benzo[1,2-b_4,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]benzo[1,2-b_4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
中文别名：
Rachelmycin
英文别名：
Benzo[1,2-b_4,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]benzo[1,2-b_4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-;
(+)-(3bR,4aS)-CC-1065;
(+)-CC-1065;
Rachelmycin
精确分子量/精确质量：
703.23900
极性分子表面积/PSA：
210.31000
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。
InChI：
The Key: UOWVMDUEMSNCAV-WYENRQIDSA-N

物化性质展开↓

密度：
1.75g/cm3
折射率：
1.878
存储条件/存储方法：
库房通风低温干燥,与食品原料分开存放

合成路线查看所有的合成路线

  • 112764-71-3

    (S)-7-(7-(1-(chloromethyl)-5-hydroxy-8-methyl-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-4-hydroxy-5-methoxy-1,2,3,6-tetrahydropyrrolo[3,2-e]indole-3-carbonyl)-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide

  • →

    ~44%

  • 69866-21-3

    Rachelmycin

  • 176685-38-4

    176685-38-4

  • →

  • 69866-21-3

    Rachelmycin

  • 176685-39-5

    176685-39-5

  • →

  • 69866-21-3

    Rachelmycin

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF4936700
CAS REGISTRY NUMBER :
69866-21-3
LAST UPDATED :
199806
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C37-H33-N7-O8
MOLECULAR WEIGHT :
703.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8800 ug/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 - mouse
DOSE/DURATION :
6900 ng/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 ug/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 ug/kg
TOXIC EFFECTS :
Liver - fatty liver degeneration
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
DOSE/DURATION :
7400 nmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 42,999,1982 *** REVIEWS *** TOXICOLOGY REVIEW JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 39,319,1986

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