uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087415B2
查看IDENTITY
结构与身份
- 标准SMILES
- CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O
- InChIKey
- UNFWWIHTNXNPBV-WXKVUWSESA-N
- 分子式
- C14H24N2O7
- 平均分子量
- 332.35 g/mol
- 单同位素质量
- 332.15835111
COMPUTED
结构计算性质
- XLogP
- -3.1
- 极性表面积
- 130 Ų
- 氢键供体
- 5
- 氢键受体
- 9
- 可旋转键
- 2
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 478
PROPERTIES
实验与物化性质
LogP
-2.3
-2.3
Solubility
Easily soluble in cold water
1.50e+02 g/L
Physical Description
Solid
Dissociation Constants
6.95
Collision Cross Section
176.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix];183.5 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
175.51 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];171.79 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];166.15 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];171.31 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (3 of 54) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (92.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (92.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 54 reports by companies.;There are 4 notifications provided by 51 of 54 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Spectinomycin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Allergic contact dermatitis reported in veterinarian workers; [Kanerva, p. 1171-2]
Hazard Classes and Categories
Skin Irrit. 2 (90.7%);Eye Irrit. 2 (92.6%);STOT SE 3 (92.6%)
Not Classified
TOXICITY
毒理信息
Adverse Effects
Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
REGULATORY
法规信息
Regulatory Information
Spectinomycin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
PHARMACOLOGY
药理信息
ATC Code
J - Antiinfectives for systemic use;J01 - Antibacterials for systemic use;J01X - Other antibacterials;J01XX - Other antibacterials;J01XX04 - Spectinomycin
QJ - Antiinfectives for systemic use;QJ01 - Antibacterials for systemic use;QJ01X - Other antibacterials;QJ01XX - Other antibacterials;QJ01XX04 - Spectinomycin
J01XX04
Protein Binding
Not significant
Pharmacodynamics
Spectinomycin is an aminocyclitol antibiotic produced by a species of soil microorganism designated as S<i>treptomyces spectabilis</i>. In vitro studies have shown spectinomycin to be active against most strains of <i>Neisseria gonorrhoeae</i> (minimum inhibitory concentration <7.5 to 20 mcg/mL). Footprint studies indicate that spectinomycin exerts regional effects on ribosomal structure.
Mechanism of Action
Spectinomycin is an inhibitor of protein synthesis in the bacterial cell; the site of action is the 30S ribosomal subunit. It is bactericidal in its action.
Biological Half-Life
1 to 3 hours in patients with normal renal function and 10 to 30 hours in patients with impaired renal function with a creatinine clearance < 20 mL per minute.
MeSH Pharmacological Classification
Substances that inhibit the growth or reproduction of BACTERIA.
Absorption, Distribution and Excretion
Rapidly and almost completely absorbed after intramuscular injection.
Cellular Locations
Cytoplasm
Metabolite Pathways
Spectinomycin Action Pathway
USES
用途与制造
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
ALIASES
名称与别名
REACTIONS
相关反应
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