那塞罗
- 中文名称：
- 那塞罗
- 中文别名：
- 那塞罗;
拉沙里菌素
- 英文名称：
- Benzoic acid,6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-3-methyl-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-
- 英文别名：
- Lasalocid;
lasalocid acid;
lasalic acid
- CAS No.：
- 25999-31-9
- 分 子 式：
-
C34H54O8
- 分 子 量：
- 590.78776
- 精确分子量：
- 590.38200
- PSA：
- 133.52000
- EINECS：
- 247-401-9
- InChI：
- The Key: BBMULGJBVDDDNI-PEIOXNINSA-N3
- 分子结构式：
-
- SDS：
- 查看
那塞罗 物化性质
- 密度：
- 1.119g/cm3
- 沸点：
- 735.7ºC at 760mmHg
- 闪点：
- 224.8ºC
- 蒸汽压：
- 1.01E-22mmHg at 25°C
那塞罗 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GP4000000
- CHEMICAL NAME :
- 2,3-Cresotic acid,
6-(7-(5-ethyl-5-(5-ethyltetrahydro-5-hydroxy-6-methyl
-2H-pyran-2-yl)
tetrahydro-3-methyl-2-furyl)-4-hydroxy-3,5-dimethyl-6
-oxononyl)-, (-)-
- CAS REGISTRY NUMBER :
- 25999-31-9
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C34-H54-O8
- MOLECULAR WEIGHT :
- 590.88
- WISWESSER LINE NOTATION :
- T6OTJ B1 CQ C2 F- ET5OTJ BY2&VY1&YQY1&2R CQ D1 BVQ&
C1 E2
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 :
- 122 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VHTODE Veterinary and Human Toxicology. (American College of Veterinary and
Comparative Toxicology, Publication Office, Comparative Toxicology,
Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 146 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca
Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,502,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85ERAY "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al.,
eds., Washington, DC, American Soc. for Microbiology, 1978
Volume(issue)/page/year: 1,809,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VHTODE Veterinary and Human Toxicology. (American College of Veterinary and
Comparative Toxicology, Publication Office, Comparative Toxicology,
Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- 72 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VHTODE Veterinary and Human Toxicology. (American College of Veterinary and
Comparative Toxicology, Publication Office, Comparative Toxicology,
Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- VHTODE Veterinary and Human Toxicology. (American College of Veterinary and
Comparative Toxicology, Publication Office, Comparative Toxicology,
Manhattan, KS 66506) V.19- 1977- Volume(issue)/page/year: 26,322,1984
那塞罗 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）:6.4
2.氢键供体数量:4
3.氢键受体数量:8
4.可旋转化学键数量:13
5.互变异构体数量:39
6.拓扑分子极性表面积:134
7.重原子数量:42
8.表面电荷:0
9.复杂度:910
10.同位素原子数量:0
11.确定原子立构中心数量:10
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
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