双氢霉素

双氢霉素 基本信息
CAS号 128-46-1 分子式 C21H41N7O12
分子量 583.59000 精确质量 　583.28100
PSA 　334.59000 LogP 　-5.17560
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等价的CAS号：

128-46-1,82443-21-8
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目录
基本信息 制备方法与用途 物化性质 合成路线 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
128-46-1
3D弹球模型：
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分子式：
C21H41N7O12
分子量：
583.59000
中文名称：
双氢霉素
英文名称：
dihydrostreptomycin
中文别名：
双氢霉素;
Sodium Saccharin;
sodium 1,2-benzothiazol-3-olate 1,1-dioxide;
1,2-benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt (1:1);
1,2-benzisothiazol-3-olate 1,1-dioxide;
Saccharine Sodium;
Sodium Saccharin Soluble;
Sodium saccharine;
2,6-di-tert. butyl-p-cresol;
dibutylmethylphenol;
butylhydroxytoluene;
4-methyl-2,6-di(tert-butyl)phenol;
antioxidant bht;
anti-oxidant bht;
2,6-di-tert-butyl-4-cresol;
2,6-di-tert-butyl-4-methyl phenol;
501 antioxidant;
butylated hydroxy toluene;
butyleret hydroxytoluen(2,6-di-tert-butyl-p-cresol);
2,6-di-(tert-butyl)-4-methylphynol-d21;
3,5-di-tert-4butylhydroxytoluene;
butylatedhydroxytoluene,granular,nf;
di-tert-butylhydroxytoluene;
2,6-ditertiary-butyl-4-methyl-phenol;
butylated hydroxytoluene (bht&2,6-dbpc);
di-tert-butyl-para-cresol;
2,6-ditertiarybutylparacresol;
di-tert.-butyl-4-hydroxytoluol;
ionol cp-antioxidant;
2,6-ditertbutyl-4-methyl phenol[128,37,0];
2,6-Di-tert-butyl-4-methylphenol;
BHTOX-BHT;
Anitioxidant BHT;
Antioxidant 264;
3,5-di-tert-4-butylhydroxytoluene;
Antioxidant T501;
3-butyl-4-methylp
英文别名：
dihydrostreptomycin;
Benzimidazole,2-cyanomethyl;
DHSM;
Dihydrostreptomycin;
vibriomycin;
dhms;
dihydro-streptomyci;
Acetonitrile,2-benzimidazolyl;
abiocine
精确分子量/精确质量：
583.28100
极性分子表面积/PSA：
334.59000
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：
204-888-2
InChI：
InChI=1/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,21+/m0/s

生产制备方法及用途展开↓

制备方法

属抗生素类药,主要用于固紫染色阴性杆菌感染,也可用于结核杆菌感染。

用途简介

用途

属抗生素类药，主要用于固紫染色阴性杆菌感染，也可用于结核杆菌感染。

物化性质展开↓

外观与性状：
略米色固体
密度：
1.98 g/cm3
熔点：
210 - 212ºC
沸点：
954.5ºC at 760 mmHg
闪点：
531.1ºC
折射率：
1.762
蒸汽压：
0mmHg at 25°C

合成路线查看所有的合成路线

  • 57-92-1

    链霉素

  • →

  • 128-46-1

    双氢霉素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WK2450000
CHEMICAL NAME :
Streptamine, O-beta-D-mannopyranosyl-(1-4)-2-deoxy-2-(methylamino) -alpha-L-glucopyranos yl- (1-2)-5-deoxy-O-3-C-(hydroxymethyl)-alpha-L-lyxofuran osyl-(1-4)-N,N'-diami dino-, D-
CAS REGISTRY NUMBER :
128-46-1
LAST UPDATED :
199603
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C21-H41-N7-O12
MOLECULAR WEIGHT :
583.69
WISWESSER LINE NOTATION :
T6OTJ CM1 DQ EQ F1Q BO- CT5OTJ DQ D1Q E1 BO- AL6TJ BQ CQ DMYZUM EQ FMYZUM

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
533 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
260 mg/kg
SEX/DURATION :
female 19-22 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
400 mg/kg
SEX/DURATION :
female 1-16 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
600 mg/kg
SEX/DURATION :
female 6-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
7500 mg/kg
SEX/DURATION :
female 5-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - eye/ear
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
12 gm/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
REFERENCE :
NULSAK Nucleus (Calcutta). (Dr. A.K. Sharma, Centre of Advanced Studies in Cell and Chromosome Research, Calcutta, 35 Baliygunge Circular Rd., Calcutta 700 019, India) V.1- 1958- Volume(issue)/page/year: 14,161,1971

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：121.03

2、  摩尔体积（cm3/mol）：293.4

3、  等张比容（90.2K）：910.5

4、  表面张力（dyne/cm）：92.6

5、  极化率（10-24cm3）：47.98

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