5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide

HCID 85542

노트 반응

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기본 정보

CAS: 16673-34-0
표준 SMILES: COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N
분자식: C16H17ClN2O4S
평균 분자량: 368.8 g/mol
단동위원소 질량: 368.0597557

개요

an anti-inflammatory agent; structure in first source

이름 및 식별자

우선 이름: 5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
IUPAC: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
영어명: 4-(2-(5-Chloro-2-methoxybenzamido)ethyl)benzenesulfamide
분자식: C16H17ClN2O4S
분자량: 368.84

이름 및 동의어

5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamideRefChem:82472616673-34-05-Chloro-2-methoxy-N-(4-sulfamoylphenethyl)benzamideNLRP3 Inflammasome Inhibitor INLRP3-IN-2Glibenclamide Impurity A4-[2-(5-Chloro-2-methoxybenzamido)ethyl]benzene SulfonamideDTXSID10576604-[2-(5-Chloro-2-methoxybenzamido)ethyl]phenylsulfonamideMFCD00193756

이름 더 보기

NLRP3iEinecs 240-722-516673-34-0 NLRP3iGlyburide USP RC AGlibenclamide Impurity 7Glibenclamide EP Impurity AGlyburide Related CoMpound A

8TF6P2NUB5CHEMBL3188223N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide4-[2-(5-Chloro-2-methoxybenzamido) ethyl] benzenesulfonamide4-(2-(5-CHLORO-2-METHOXYBENZAMIDO)ETHYL)PHENYLSULFONAMIDEBenzamide, N-(2-(4-(aminosulfonyl)phenyl)ethyl)-5-chloro-2-methoxy-4-[2-(2-Methoxy-5-chlorobenzene-1-carboxamido)ethyl]benzenesulfonamideGlyburide USP RC A;Glibenclamide EP Impurity A

데이터베이스 식별자

CAS: 16673-34-0
PubChem CID: 85542
DTXSID: DTXSID1057660
ChEMBL: CHEMBL3188223
UNII: 8TF6P2NUB5
EC Number: 240-722-5
Nikkaji: J318.290H

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 107 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 24
형식 전하: 0
복잡도: 515

물리화학적 성질

녹는점: 209 · 209-214 °C
밀도: 1.356 · 1.356±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO에 용해됩니다(최대 45mg/ml).
산도 계수 (pKa): 10.14 · 10.14±0.10(Predicted)
물리적 상태: Solid
색상: 하얀색
안정성: 3 · 최대 3개월 동안 -20°의 DMSO에 보관
InChI: InChI=1S/C16H17ClN2O4S/c1-23-15-7-4-12(17)10-14(15)16(20)19-9-8-11-2-5-13(6-3-11)24(18,21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N
SMILES: C(NCCC1=CC=C(S(N)(=O)=O)C=C1)(=O)C1=CC(Cl)=CC=C1OC

화학적 성질

Light Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 62.5% (5 of 8) of all reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11547

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 1
HS 번호: 2935909550
risk_code: 23-24-25
hazard_code: T
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도An impurity arising in the synthesis of Glyburide (G598350).

일반 설명5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is an organic building block. It has been reported as an intermediate in the synthesis of glyburide. Synthesis of 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has been reported.

상·하류 제품 정보

상류 원료

하류 제품

글리벤클라미드

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

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