설시닐설파티아졸

Succinylsulfathiazole

HCID 5315CAS 116-43-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIKey: SKVLYVHULOWXTD-UHFFFAOYSA-N
분자식: C13H13N3O5S2
평균 분자량: 355.4 g/mol
단동위원소 질량: 355.02966252

개요

N-succinylsulfathiazole is a member of 1,3-thiazoles. It is functionally related to a sulfathiazole.

이름 및 식별자

우선 이름: Succinylsulfathiazole
IUPAC: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid
현지명: 설시닐설파티아졸
영어명: Succinylsulfathiazole
분자식: C13H13N3O5S2
분자량: 355.39

이름 및 동의어

succinylsulfathiazole116-43-8ColistatinSulfasuxidineCremosuxidineSulfadigesinSulfasuccidineKaoxidinSulfasuccithiazoleKaoxidineThiacylSuccinylsulphathiazole

이름 더 보기

설시닐설파티아졸p-2-티아졸릴설파모일숙신나닐산SSTSMSTrolsulSULFENTERONESST-PB3M-CPX

4'-(2-Thiazolylsulfamoyl)succinanilic acidSuccinilsulfatiazolSuccinylsulfathiazolSuccinyl sulfathiazoleSuccinylsulfathiazolumDTXSID7045281NSC-14193NSC-163939

데이터베이스 식별자

CAS: 116-43-8
PubChem CID: 5315
DTXSID: DTXSID7045281
ChEMBL: CHEMBL1484857
ChEBI: CHEBI:9309
UNII: RSS8647O4S
EC Number: 204-141-0
Nikkaji: J5.280I

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 162 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 23
형식 전하: 0
복잡도: 526

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

Solubility51.4 [ug/mL] (The mean of the results at pH 7.4)

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 2건

183.88 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

182.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 193.5 °C · 193.5°C
밀도: 1.4807 · 1.4807 (rough estimate)
굴절률: 1.639 · 1.6390 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 1 M · 1M NaOH: 용해성50mg/mL
산도 계수 (pKa): 4.5 · pKa 4.5 (Uncertain)
물리적 상태: 가루
색상: 흰색에서 황백색까지
수용성: 0.49 g/L · 0.49g/L(38℃)
Merck: 14 · 14,8877
BRN: 349989 · 349989
EPA: 4 · Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]- (116-43-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Other Safety InformationIMAP assessments - Butanoic acid, 4-oxo-4-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

안전 데이터

wgk: 3
rtecs: WM4767000
ridadr: 3249
HS 번호: 29350090
risk_code: 42/43
hazard_code: Xn
safety_code: 22-36/37-45
포장분류: III
위험 등급: 6.1(b)

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

용도 및 제조

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

응용 분야

용도Succinylsulfathiazole is antibacterial

상·하류 제품 정보

상류 원료

술파티아졸 숙신산무수물

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

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