硫酸妥布霉素

硫酸妥布霉素 基本信息
CAS号 49842-07-1 分子式 C18H39N5O13S
分子量 565.59300 精确质量  565.22700
PSA  351.15000 LogP  -2.36630

等价的CAS号:

49842-07-1,79645-27-5,84278-19-3,84278-28-4,126777-32-0

基本信息 展开↓

CAS号:
49842-07-1
3D弹球模型:
立即前往扯扯看
分子式:
C18H39N5O13S
分子量:
565.59300
中文名称:
硫酸妥布霉素
英文名称:
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol,sulfuric acid
中文别名:
硫酸妥布霉素;
O-3-氨基-3-脱氧-alpha-O-葡吡喃糖基-(1→6)-O-[2,6-二氨基-2,3,6-三脱氧-alpha-D-核-己吡喃糖基-(1→4)]-2-脱氧-D-链霉胺硫酸盐;
硫酸托布霉素;
妥布霉素硫酸盐
英文别名:
(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol,sulfuric acid;
EINECS 256-499-2;
Tobramycin sulphate;
Tobra;
Tenemicin;
Gernebcin;
Obracine;
Nebicina;
1-Epitobramycin sulfate;
Nebcin
精确分子量/精确质量:
565.22700
极性分子表面积/PSA:
351.15000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
256-499-2
InChI:
The Key: ZEUUPKVZFKBXPW-TWDWGCDDSA-N

物化性质展开↓

密度:
1.52g/cm3
沸点:
775.4ºC at 760mmHg
闪点:
422.8ºC

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R61
安全说明:
53-22-36/37/39-45
危险标志:
T: Toxic;

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WK2110000
CHEMICAL NAME :
Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6 -diamino-2,3,6-trideo xy- alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-, D-, sulfate (salt)
CAS REGISTRY NUMBER :
49842-07-1
LAST UPDATED :
199606
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C18-H37-N5-O9.xH2-O4-S
MOLECULAR WEIGHT :
1154.16
WISWESSER LINE NOTATION :
T6OTJ B1Q CQ DZ EQ FO- BL6TJ AZ CQ EZ DO- BT6OTJ CZ EQ F1Z &..H2.S-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
15 mg/kg/5D-I
TOXIC EFFECTS :
Behavioral - wakefulness Behavioral - hallucinations, distorted perceptions
REFERENCE :
JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 247,1319,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1680 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
126 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
262 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
77 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg/8D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Endocrine - changes in adrenal weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
REFERENCE :
ANTBAL Antibiotiki. (Moscow, USSR) V.1-29, 1956-84. For publisher information, see AMBIEH. Volume(issue)/page/year: 24,60,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
8400 mg/kg/30W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Ear) - changes in cochlear structure or function Behavioral - altered sleep time (including change in righting reflex) Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 77,479,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1400 mg/kg/14D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Ear) - changes in cochlear structure or function
REFERENCE :
LARYA8 Laryngoscope. (Laryngoscope Co., 9216 Clayton Rd., Suite 18, St. Louis, MO 63124) V.1- 1896- Volume(issue)/page/year: 86,259,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1400 mg/kg/7D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Ear) - changes in cochlear structure or function
REFERENCE :
LARYA8 Laryngoscope. (Laryngoscope Co., 9216 Clayton Rd., Suite 18, St. Louis, MO 63124) V.1- 1896- Volume(issue)/page/year: 86,259,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4326 No. of Facilities: 305 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 21896 (estimated) No. of Female Employees: 17672 (estimated)

分子结构与计算化学数据展开↓

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:12

3.氢键受体数量:18

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积351

7.重原子数量:37

8.表面电荷:0

9.复杂度:691

10.同位素原子数量:0

11.确定原子立构中心数量:14

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:2

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