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基本情報
- CAS
551-92-8- 標準SMILES
Cc1ncc([N+](=O)[O-])n1C- InChIKey
IBXPYPUJPLLOIN-UHFFFAOYSA-N- 分子式
- C5H7N3O2
- 平均分子量
- 141.13 g/mol
- 単同位体質量
- 141.05382646
概要
Dimetridazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl groups. An antiprotozoal drug, it has been banned by both the Government of Canada and the European Union as a livestock feed additive owing to suspicions of it being carcinogenic. It has a role as an antiparasitic agent and an antiprotozoal drug. It is a member of imidazoles and a C-nitro compound.
名称と識別子
- 優先名称
- Dimetridazole
- IUPAC
- 1,2-dimethyl-5-nitroimidazole
名称と別名
dimetridazole1,2-Dimethyl-5-nitroimidazole551-92-8EmtrylDimetridazolDimetridazolum5-Nitro-1,2-dimethylimidazole1H-Imidazole, 1,2-dimethyl-5-nitro-RP 8595AlazolDTXSID5020497K59P7XNB8X
名称をさらに表示
NSC-226253RP-8595DTXCID30497CHEBI:141155RefChem:134401209-001-21,2-DIMETHYL-5-NITRO-1H-IMIDAZOLEEmtrylvet
データベース識別子
- CAS
551-92-8- PubChem CID
- 3090
- DTXSID
DTXSID5020497- ChEMBL
CHEMBL38938- ChEBI
CHEBI:141155- UNII
- K59P7XNB8X
- EC Number
- 209-001-2
- Nikkaji
- J4.401F
物性
構造計算による物性補完中
- XLogP
- 0.1
- 極性表面積
- 63.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 144
実験および物理化学的性質
DrugsPharmaceuticals -> Antibiotics
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.31
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Ionization Efficiency
Positive
2.97
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
128.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5020497]
116.4 Ų [M+H]+ [CCS Type: TW]
133.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
124.77 Ų [M+H]+
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
Warning
H315 (92.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDimetridazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Imidazole, 1,2-dimethyl-5-nitro-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (92.5%)
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationSubstances that are destructive to protozoans.
用途と製造
Use Classification
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
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関連反応
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化合物ノート
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