기본 정보
- CAS
122-11-2- 표준 SMILES
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1- InChIKey
ZZORFUFYDOWNEF-UHFFFAOYSA-N- 분자식
- C12H14N4O4S
- 평균 분자량
- 310.33 g/mol
- 단동위원소 질량
- 310.07357611
개요
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.
이름 및 식별자
- 우선 이름
- Sulfadimethoxine
- IUPAC
- 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
- 현지명
- 설파디메톡신
- 영어명
- Sulfadimethoxine
- 분자식
- C12H14N4O4S
- 분자량
- 310.33
이름 및 동의어
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
이름 더 보기
설파다이메톡신설파디메톡신Sulfadimethoxine basesulfadimethoxinsymbiosulfadimetoxinSulfadimethoxine for peak identificationabcidfuxalsudine
2,4-Dimethoxy-6-sulfanilamido-1,3-diazine6-Sulfanilamido-2,4-dimethoxypyrimidineDTXSID1023607SULFAMED-G4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide2,6-Dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidineNSC-68354430CPC5LDEX
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 419
실험 및 물리화학적 성질
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]+
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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
안전 데이터
- wgk
- 3
- rtecs
- WO9030000
- ridadr
- 3249
화학 및 산업
약리 정보
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
용도 및 제조
Use Classification
Pharmaceuticals -> Antiinfectives for systemic use -> Antibacterials for systemic use -> Sulfonamides and trimethoprims -> Long-acting sulfonamides -> Antibiotics
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
상·하류 제품 정보
상류 원료
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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