Tenidap

HCID 60712CAS 120210-48-2

기본 정보

표준 SMILES: NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIKey: IZSFDUMVCVVWKW-UHFFFAOYSA-N
분자식: C14H9ClN2O3S
평균 분자량: 320.8 g/mol
단동위원소 질량: 320.00224083

개요

Tenidap is a member of indoles, a member of thiophenes, an organochlorine compound and a member of ureas. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor.

이름 및 식별자

우선 이름: Tenidap
IUPAC: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
영어명: Tenidap
분자식: C14H9ClN2O3S
분자량: 320.75

이름 및 동의어

TENIDAP120210-48-2CP-66248DTXSID9046104CP-66,248(Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide9K7CJ74ONHCP 66248CHEMBL1097558CHEBI:358475-chloro-2-hydroxy-3-(thiophene-2-carbonyl)-1H-indole-1-carboxamideNCGC00160352-01

이름 더 보기

AKOS 91367TENIDAP USP/EP/BPCP66248,CP-66248-25-Chloro-2，3-dihydro-2-oxo-3-(2-thenoyl)-1H-indole-1-carboxamide(Z)-5-Chloro-2,3-dihydro-3-(hydroxy-2-thienylMethylene)-2-oxo-1H- indole-1-carboxaMide(3Z)-5-Chloro-2,3-dihydro-3-(hydroxy-2-thienylMethylene)-2-oxo-1H-indole-1-carboxaMide(3Z)-5-CHLORO-3-[HYDROXY(2-THIENYL)METHYLENE]-2-OXO-2,3-DIHYDRO-1H-INDOLE-1-CARBOXAMIDE1H-Indole-1-carboxamide, 5-chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-, (3Z)-

5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide(Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide1H-Indole-1-carboxamide, 5-chloro-2,3-dihydro-3-(hydroxy-2-thienylmethylene)-2-oxo-, (Z)-DTXCID7026104TenidapumTenidapum [INN-Latin](3Z)-5-chloro-3-[hydroxy(2-thienyl)methylene]-2-oxo-indoline-1-carboxamide(3Z)-5-chloro-3-[hydroxy(2-thienyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-1-carboxamide

데이터베이스 식별자

CAS: 120210-48-2
PubChem CID: 60712
DTXSID: DTXSID9046104
ChEMBL: CHEMBL1097558
ChEBI: CHEBI:35847
UNII: 9K7CJ74ONH
Nikkaji: J3.110.323A、J328.807B、J594.228D、J717.958H

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 114 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 450

물리화학적 성질

녹는점: 230 ° · 230° (dec)
끓는 점: 538.1 · 538.1±60.0 °C(Predicted)
밀도: 1.648 · 1.648±0.06 g/cm3(Predicted)
저장 조건: 4 °C · Store at +4°C
용해도: 1 mg/mL, · DMSO: 용해성 1mg/mL, 투명(가온)
물리적 상태: 가루
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)
색상: 희미한 노란색에서 어두운 노란색까지
InChI: 1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
InChIKey: IZSFDUMVCVVWKW-UHFFFAOYSA-N
SMILES: [s]1c(ccc1)C(=O)c2c3c([n](c2O)C(=O)N)ccc(c3)Cl

안전 및 규제

안전 데이터

wgk: 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Tenidap is one of the nonsteroidal antiinflammatory drugs (NSAIDs). Tenidap is an NSAID that preferentially inhibits COX-1. Tenidap inhibits formation of pro-inflammatory arachidonic acid metabolites in isolated human peripheral polymorphonuclear leukocytes.

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