기본 정보
- CAS
551-92-8- 표준 SMILES
Cc1ncc([N+](=O)[O-])n1C- InChIKey
IBXPYPUJPLLOIN-UHFFFAOYSA-N- 분자식
- C5H7N3O2
- 평균 분자량
- 141.13 g/mol
- 단동위원소 질량
- 141.05382646
개요
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.
이름 및 식별자
- 우선 이름
- Dimetridazole
- IUPAC
- 1,2-dimethyl-5-nitroimidazole
- 현지명
- 디메트리다졸
- 영어명
- 1,2-Dimethyl-5-nitroimidazole
- 분자식
- C5H7N3O2
- 분자량
- 141.13
이름 및 동의어
dimetridazole1,2-Dimethyl-5-nitroimidazole551-92-8EmtrylDimetridazolDimetridazolum5-Nitro-1,2-dimethylimidazole1H-Imidazole, 1,2-dimethyl-5-nitro-RP 8595AlazolDTXSID5020497K59P7XNB8X
이름 더 보기
디메트리다졸DimetronidazoleDimetridazole Premix8595RPRP8595Unizole
NSC-226253RP-8595DTXCID30497CHEBI:141155RefChem:134401209-001-21,2-DIMETHYL-5-NITRO-1H-IMIDAZOLEEmtrylvet
데이터베이스 식별자
- CAS
551-92-8- PubChem CID
- 3090
- DTXSID
DTXSID5020497- ChEMBL
CHEMBL38938- ChEBI
CHEBI:141155- UNII
- K59P7XNB8X
- EC Number
- 209-001-2
- Nikkaji
- J4.401F
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
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]+
물리화학적 성질
- 녹는점
- 177 · 177-182°C
- 끓는 점
- 258.15 °C · 258.15°C (rough estimate)
- 밀도
- 1.3818 · 1.3818 (rough estimate)
- 굴절률
- 1.619 · 1.6190 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 데이터
- wgk
- 3
- rtecs
- NI5075000
- HS 번호
- 29332900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-36/37-22
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationSubstances that are destructive to protozoans.
용도 및 제조
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
응용 분야
용도An antihistomonal agent. Antiprotozoal (Histomonas).
상·하류 제품 정보
상류 원료
관련 반응
19건
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