기본 정보
- CAS
57-67-0- 표준 SMILES
NC(N)=NS(=O)(=O)c1ccc(N)cc1- InChIKey
BRBKOPJOKNSWSG-UHFFFAOYSA-N- 분자식
- C7H10N4O2S
- 평균 분자량
- 214.25 g/mol
- 단동위원소 질량
- 214.05244656
개요
Sulfaguanidine is a sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine. It has a role as an antiinfective agent.
이름 및 식별자
- 우선 이름
- Sulfaguanidine
- IUPAC
- 2-(4-aminophenyl)sulfonylguanidine
- 현지명
- 설파구아니딘
- 영어명
- Sulfaguanidine
- 분자식
- C7H10N4O2S
- 분자량
- 214.24
이름 및 동의어
sulfaguanidine57-67-0SulphaguanidineSulfaguanidinSulfaguineSulfanilylguanidineSulfanilguanidineSulfoguanidineSulfaguanilSulfoguanilSulfoguanyl2-(4-aminophenyl)sulfonylguanidine
이름 더 보기
설파구아니딘SG4-amino-N-carbamimidoylbenzenesulfonamideSULFAQUANIDINESulphagunadineA-30750DAGDiactaSulgin
SulfaguanidinaSulfaguanidinumBenzenesulfonamide, 4-amino-N-(aminoiminomethyl)-SulginumDTXSID1023609NSC-140412-sulfanilylguanidineDTXCID103609
데이터베이스 식별자
- CAS
57-67-0- PubChem CID
- 5324
- DTXSID
DTXSID1023609- ChEMBL
CHEMBL338802- ChEBI
CHEBI:94621- UNII
- 15XQ8043FN
- EC Number
- 200-345-9
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 307
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Antibiotics (Sulfonamide)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
PesticidesBiocide
LogP-1.22
Solubility>32.1 [ug/mL] (The mean of the results at pH 7.4)
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section146.6 Ų [M-H]-
물리화학적 성질
- 녹는점
- 190 · 190-193°C
- 끓는 점
- 426.1 · 426.1±47.0 °C(Predicted)
- 밀도
- 1.3916 · 1.3916 (rough estimate)
- 굴절률
- 1.644 · 1.6440 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 1 M · 1M HCl: 용해성50mg/mL
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 4.9% (4 of 81) of reports.
Warning
H315 (92.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 81 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: Sulfaguanidine (EC: 200-345-9)
Sulphaguanidine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenesulfonamide, 4-amino-N-(aminoiminomethyl)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (92.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- WO8575000
- ridadr
- 3249
- HS 번호
- 29350090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 10
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Mechanism of ActionSulfaguanidine is a sulfonamide antibacterial that inhibits dihydropteroate synthase (DHPS) by acting as a PABA analogue, blocking folate biosynthesis in susceptible microbes.
MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
용도 및 제조
Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan
General Manufacturing InformationBenzenesulfonamide, 4-amino-N-(aminoiminomethyl)-: ACTIVE
응용 분야
용도Sulfaguanidine is a sulfonamide based antibiotic drug with potential application in veterinary medicine.
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