棕霉素
- 中文名称：
- 棕霉素
- 中文别名：
- 链黑霉素;
棕霉素
- 英文名称：
- Streptonigrin
- 英文别名：
- streptonigrin;
Rufocromomycinum;
Valacidin;
Rufocromomycine;
Bruneomycin;
Streptonigran;
(4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid;
Nigrin;
Rufocromomicina;
Rufocromomycin
- CAS No.：
- 3930-19-6
- 分 子 式：
-
C25H22N4O8
- 分 子 量：
- 506.46
- 精确分子量：
- 506.14400
- PSA：
- 197.18000
- EINECS：
- 223-501-8
- InChI：
- The Key: PVYJZLYGTZKPJE-UHFFFAOYSA-N3
- 危险品标志：
-
T+
- 风险术语：
-
R28
- 安全术语：
-
S58;S28;S36/37/39;S45
- 分子结构式：
-
- SDS：
- 查看
棕霉素 物化性质
- 密度：
- 1.54g/cm3
- 熔点：
- 301-303℃
- 沸点：
- 719ºC at 760mmHg
- 闪点：
- 388.7ºC
- 折射率：
- 1.716
棕霉素 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- WGK_Germany：
- 3
德国有关水污染物质的分类清单
- 危险类别码：
- 28
- RTECS号：
- TJ7350000
- 危险标志：
- T+: Very toxic;
棕霉素 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TJ7350000
- CHEMICAL NAME :
- Picolinic acid,
5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-
quinolyl)-4-(2-
hydroxy-3,4-dimethoxyphenyl)-3-methyl-
- CAS REGISTRY NUMBER :
- 3930-19-6
- BEILSTEIN REFERENCE NO. :
- 0599390
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 64
- MOLECULAR FORMULA :
- C25-H22-N4-O8
- MOLECULAR WEIGHT :
- 506.51
- WISWESSER LINE NOTATION :
- T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1
FVQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 ug/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Gastrointestinal - hypermotility, diarrhea
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2330 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 :
- 520 ug/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Gastrointestinal - hypermotility, diarrhea
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1000 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 865 ug/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 :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 500 ug/kg
- TOXIC EFFECTS :
- Blood - leukopenia
Blood - changes in platelet count
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 600 ug/kg
- TOXIC EFFECTS :
- Blood - leukopenia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 50 mg/kg/10D-I
- TOXIC EFFECTS :
- Blood - other changes
Endocrine - changes in spleen weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1710 ug/kg/7D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume decreased
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 ug/kg/10D-I
- TOXIC EFFECTS :
- Gastrointestinal - other changes
Liver - hepatitis (hepatocellular necrosis), zonal
Liver - fatty liver degeneration
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 250 ug/kg/10D-I
- TOXIC EFFECTS :
- Blood - leukopenia
Blood - changes in bone marrow (not otherwise specified)
Blood - changes in platelet count
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 500 ug/kg/10D-I
- TOXIC EFFECTS :
- Blood - leukopenia
Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 100 ug/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 100 ug/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 ug/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - body wall
Reproductive - Specific Developmental Abnormalities - endocrine system
Reproductive - Specific Developmental Abnormalities - urogenital system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 250 ug/kg
- SEX/DURATION :
- female 11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - cytological changes (including
somatic cell genetic material)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 100 ug/kg
- SEX/DURATION :
- female 11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 100 ug/kg
- SEX/DURATION :
- female 2 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 90 ug/kg
- SEX/DURATION :
- female 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Fertility - other measures of fertility
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sister chromatid exchange
MUTATION DATA
- TEST SYSTEM :
- Rodent - rabbit
- DOSE/DURATION :
- 30 ug/kg
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For
publisher information, see EMMUEG. Volume(issue)/page/year: 7(Suppl
3),48,1985
*** REVIEWS ***
TOXICOLOGY REVIEW
ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For
publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965
棕霉素 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:0.5
2.氢键供体数量:4
3.氢键受体数量:12
4.可旋转化学键数量:5
5.互变异构体数量:645
6.拓扑分子极性表面积:193
7.重原子数量:37
8.表面电荷:0
9.复杂度:1310
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
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- Cas号：3930-19-6
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T+