1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓
- 中文名称:
- 1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓
- 中文别名:
- 1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓
- 英文名称:
- Cyclo(L-alanyl-D-valyl-L-leucyl-D-tryptophyl-D-a-glutamyl)
- 英文别名:
- (4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpent-4-enoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid;
Cyclo(L-alanyl-D-valyl-L-leucyl-D-tryptophyl-D-a-glutamyl)
- CAS No.:
- 136553-73-6
- 分 子 式:
-
C30H42N6O7
- 分 子 量:
- 0
- 精确分子量:
- 598.31100
- PSA:
- 226.54000
- 分子结构式:
-

- SDS:
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1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓 物化性质
- 密度:
- 1.243g/cm3
- 沸点:
- 1012.1ºC at 760mmHg
- 闪点:
- 565.9ºC
- 折射率:
- 1.578
- 蒸汽压:
- 0mmHg at 25°C
1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GT9165000
- CHEMICAL NAME :
- Cyclo(L-alanyl-D-valyl-L-leucyl-D-tryptophyl-D-alpha-
glutamyl)
- CAS REGISTRY NUMBER :
- 136553-73-6
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H42-N6-O7
- MOLECULAR WEIGHT :
- 598.78
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >100 mg/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: 44,1342,1991
1-溴-8-氯-6-(2-氯苯基)-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮卓 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):无
2.氢键供体数量:7
3.氢键受体数量:8
4.可旋转化学键数量:17
5.互变异构体数量:32
6.拓扑分子极性表面积:213
7.重原子数量:43
8.表面电荷:0
9.复杂度:1030
10.同位素原子数量:0
11.确定原子立构中心数量:5
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:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1