基本情報
- CAS
122-11-2- 標準SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1- InChIKey
ZZORFUFYDOWNEF-UHFFFAOYSA-N- 分子式
- C12H14N4O4S
- 平均分子量
- 310.33 g/mol
- 単同位体質量
- 310.07357611
概要
Sulfadimethoxine is a sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has a role as an antimicrobial agent, an antiinfective agent, a xenobiotic, an environmental contaminant and a drug allergen. It is a sulfonamide, an aromatic ether, a member of pyrimidines, a substituted aniline and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
名称と識別子
- 優先名称
- Sulfadimethoxine
- IUPAC
- 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
- 現地名
- スルファジメトキシン
- 英語名
- Sulfadimethoxine
- 分子式
- C12H14N4O4S
- 分子量
- 310.33
名称と別名
sulfadimethoxine122-11-2SulphadimethoxineAlbon4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamideSulfadimethoxydiazineMadribonSulfadimetoxinaSulfadimethoxinumBenzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-4-Amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide2,6-Dimethoxy-4-sulfanilamidopyrimidine
名称をさらに表示
スルファジメトキシンマドリボンドプランアプシードN-(2,6-ジメトキシ-4-ピリミジニル)-4-アミノベンゼンスルホンアミドハチメトキシン4-アミノ-N-(2,6-ジメトキシピリミジン-4-イル)ベンゼンスルホンアミドネオサルトン4-アミノ-N-(2,6-ジメトキシ-4-ピリミジニル)ベンゼンスルホンアミドスルメジンジメキシン消発地亜浄ラスチンメトロシロップジメトキシンドスミンジアスルファジメトスルファジメトキデポキシンSulfadimethoxine basesulfadimethoxinsymbiosulfadimetoxin
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 125 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 419
実験および物理化学的性質
Chemical ClassesPharmaceutical
Drugs
Pharmaceuticals -> Antibiotics (Sulfonamide)
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
LogP0.96
Animal Drugs
FDA approved animal drugs -> Active ingredient
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
Physical DescriptionSolid
Ionization Efficiency
Positive
2.74
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
173.09 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
166 Ų [M+H]+ [CCS Type: TW]
170.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
167.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
165.8 Ų [M+H]+
物理化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (5 of 113) of reports.
Warning
H315 (46%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationSulfadimethoxine: 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.
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (46%)
毒性情報
USGS Health-Based Screening Levels for Evaluating Water-Quality
Sulfadimethoxine
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
安全データ
- F
- 8
- wgk
- 3
- rtecs
- WO9030000
- ridadr
化学と産業
薬理情報
ATC Code
J01ED02
J - Antiinfectives for systemic use
QP - Antiparasitic products, insecticides and repellents
QJ - Antiinfectives for systemic use
PharmacodynamicsSulfadimethoxine has been shown to be effective against streptococci, klebsiella, proteus, shigella, staphylococci, escherichia, and salmonella.
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Cellular LocationsMembrane
用途と製造
Use Classification
Pharmaceuticals -> Antiinfectives for systemic use -> Antibacterials for systemic use -> Sulfonamides and trimethoprims -> Long-acting sulfonamides -> Antibiotics
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
応用分野
用途動物用医薬品定量用の標準品。
上流・下流製品情報
上流原料
関連反応
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化合物ノート
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