10'-去甲氧基链黑菌素
- 中文名称:
- 10'-去甲氧基链黑菌素
- 中文别名:
- 甲酸3-(乙胺基)-2-甲基-7-[(o-苯甲基)氨基]苯并噁嗪-5-正离子;
(4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid
- 英文名称:
- 10-desmethoxystreptonigrin
- 英文别名:
- (4E)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylic acid;
10'-Desmethoxystreptonigrin;
10'-Demethoxystreptonigrin
- CAS No.:
- 136803-89-9
- 分 子 式:
-
C24H20N4O7
- 分 子 量:
- 476.443
- 精确分子量:
- 476.13300
- PSA:
- 187.95000
- InChI:
- The Key: ULSNCNUVHUNMCF-UHFFFAOYSA-N3
- SDS:
- 查看
10'-去甲氧基链黑菌素 物化性质
- 密度:
- 1.55g/cm3
- 沸点:
- 683.6ºC at 760 mmHg
- 闪点:
- 367.2ºC
- 折射率:
- 1.715
- 蒸汽压:
- 1.26E-19mmHg at 25°C
10'-去甲氧基链黑菌素 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- US5177500
- CHEMICAL NAME :
- 2-Pyridinecarboxylic acid,
5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-
quinolinyl)-4-(2-hydr oxy-3-methoxyphenyl)-3-methyl-
- CAS REGISTRY NUMBER :
- 136803-89-9
- LAST UPDATED :
- 199403
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C24-H20-N4-O7
- MOLECULAR WEIGHT :
- 476.48
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 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: 45,454,1992
10'-去甲氧基链黑菌素 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):0.8
2.氢键供体数量:4
3.氢键受体数量:11
4.可旋转化学键数量:4
5.互变异构体数量:697
6.拓扑分子极性表面积:184
7.重原子数量:35
8.表面电荷:0
9.复杂度:1250
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