吡唑霉素

  • 基本信息
  • 物化性质
  • 毒理性
  • 结构与计算化学
  • 上游产品

吡唑霉素 基本信息

中文名称:
吡唑霉素 
中文别名:
吡唑霉素;
吡唑呋林 
英文名称:
1H-Pyrazole-5-carboxamide,4-hydroxy-3-b-D-ribofuranosyl-
英文别名:
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1H-pyrazole-3-carboxamide;
Pirazofurin;
Pyrazofurin;
Pyrazomycin 
CAS No.:
30868-30-5
分 子 式:
C9H13N3O6
分 子 量:
277.23
精确分子量:
259.08000
PSA:
161.92000
InChI:
The Key: XESARGFCSKSFID-FLLFQEBCSA-N
分子结构式:
SDS:
查看

吡唑霉素 物化性质

密度:
1.786g/cm3
沸点:
584.397ºC at 760 mmHg
闪点:
307.232ºC
折射率:
1.718

吡唑霉素 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6360000
CHEMICAL NAME :
1H-Pyrazole-5-carboxamide, 4-hydroxy-3-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
30868-30-5
LAST UPDATED :
199112
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C9-H13-N3-O6
MOLECULAR WEIGHT :
259.25
WISWESSER LINE NOTATION :
T5OTJ B1Q CQ DQ E- CT5MNJ DQ EVZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
108 mg/kg/5D
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
48 mg/kg/5D
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
84 mg/kg/5D
TOXIC EFFECTS :
Blood - changes in bone marrow (not otherwise specified) Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
108 mg/kg/5D
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human
DOSE/DURATION :
144 mg/kg/5D
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified) Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - dehydration
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - guinea pig Lymphocyte
DOSE/DURATION :
10 umol/L
REFERENCE :
JBTOEB Journal of Biochemical Toxicology. (VCH Publishers, Inc., 220 E. 23rd St., Suite 909, New York, NY USA 10010) V.1- 1986- Volume(issue)/page/year: 6,19,1991

吡唑霉素 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):-2.2

2.氢键供体数量:6

3.氢键受体数量:7

4.可旋转化学键数量:3

5.互变异构体数量:17

6.拓扑分子极性表面积:162

7.重原子数量:18

8.表面电荷:0

9.复杂度:329

10.同位素原子数量:0

11.确定原子立构中心数量:4

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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产品介绍:
产品名称:吡唑霉素 Cas号:30868-30-5 纯度:98% 包装信息:5mgea 价格:4,498.0元
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