基本情報
- CAS
80-35-3- 標準SMILES
COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1- InChIKey
VLYWMPOKSSWJAL-UHFFFAOYSA-N- 分子式
- C11H12N4O3S
- 平均分子量
- 280.31 g/mol
- 単同位体質量
- 280.06301143
概要
Sulfamethoxypyridazine is a sulfonamide consisting of pyridazine having a methoxy substituent at the 6-position and a 4-aminobenzenesulfonamido group at the 3-position. It has a role as an antiinfective agent, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor and a drug allergen. It is a sulfonamide, a member of pyridazines and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
名称と識別子
- 優先名称
- Sulfamethoxypyridazine
- IUPAC
- 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide
- 現地名
- スルファメトキシピリダジン
- 英語名
- Sulfamethoxypyridazine
- 分子式
- C11H12N4O3S
- 分子量
- 280.3
名称と別名
sulfamethoxypyridazine80-35-3MidicelSulphamethoxypyridazineSulfapyridazineDepovernilLederkynKynex4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamideSulfametoxipiridazinaSulfametoxipiridazineSulfamethoxypyridazinum
名称をさらに表示
ハイダジンスルファピリダジンパルメジンペトリスルキネックスレダキンズロックスミアスルノボスルロムガミドピリダジンCグロスルビンセススルチレンパンタジナスポファダジンネオスルホンレデルキンN-(6-メトキシピリダジン-3-イル)-4-アミノベンゼンスルホンアミドミロスルSulfamethoxypyridazine-d3SMPZParamid6-Sulfanilamido-3-methoxypyridazineN1-(6-Methoxy-3-pyridazinyl)sulfanilamideDuroxKinex
Benzenesulfonamide, 4-amino-N-(6-methoxy-3-pyridazinyl)-3-Sulfa-6-methoxypyridazineRetasulphineSolfametossipiridazina3-Methoxy-6-sulfanylamidopyridazine3-Sulfanilamide-6-methoxypyridazine3-Sulfanilamido-6-methoxypyridazine6-Methoxy-3-sulfanilamidopyridazine
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 116 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 376
実験および物理化学的性質
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Antibiotics (Sulfonamide)
LogP0.4
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section
159.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
154.41 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 182 · 182-183°
- 沸点
- 564.9 · 564.9±60.0 °C(Predicted)
- 比重(密度)
- 1.3936 · 1.3936 (rough estimate)
- 屈折率
- 1.62 · 1.6200 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 結晶性粉末
- 酸解離定数(Pka)
- 6.7 · 6.7(at 25℃)
- 色
- 白から黄色
- 水溶解度
- 579.5 mg/L · 579.5mg/L(25℃)
- Merck
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 4.9% (5 of 102) of reports.
Danger
H315 (43.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationSulfamethoxypyridazine: 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-(6-methoxy-3-pyridazinyl)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (43.1%)
安全データ
- F
- 10
- wgk
- 2
- rtecs
- WP0400000
- 毒性
- LD50 orally in mice: 1750 mg/kg, (Seki)
- hs_code
- 29350090
- risk_code
- 37/38-41
- 化審法
- 一般化学物質
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
化学と産業
薬理情報
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
用途と製造
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
応用分野
使用Sulfamethoxypyridazine is a long-acting sulfonamide antibiotic with anti-inflammatory and antibacterial effects, mainly used for streptococcus, staphylococcus, Escherichia coli and other infections, especially for urinary tract infections.
一般的な説明Sulfamethoxypyridazine is a sulfonamide antibiotic mainly used to prevent infections as well as conditions such as coccidiosis, diarrhea and gastroenteritis.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司
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