Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
인답아마이드
인답아마이드 · 인답아미드 · INDAPAMID · indaflex · ndapamide · Idapamide · Indapamide CRS · N-(4-CHLORO-3-SULFAMOYLBENZAMIDO)-2-METHYLINDOLINE
식별자 및 물리적 특성
| CAS No. | 26807-65-8 |
|---|---|
| 분자식 | C16H16ClN3O3S |
| 평균 분자량 | 365.8 g/mol |
| 단동위원소 질량 | 365.0600902 g/mol |
| SMILES | CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 |
| InChIKey | NDDAHWYSQHTHNT-UHFFFAOYSA-N |
| PubChem CID | 3702 |
| ChEMBL | CHEMBL406 |
| ChEBI | CHEBI:5893 |
| EC No. | 248-012-7 |
| DTXSID | DTXSID7044633 |
| 현지명 | 인답아마이드 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 101 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 580 |
| 의약품 | PharmaceuticalsPharmaceuticals -> Diuretics |
| LogP(분배 계수) | 2.21.83 |
| 용해도 | 3.42e-02 g/L>54.9 [ug/mL] (The mean of the results at pH 7.4)물에는 거의 녹지 않으며, 에탄올에는 용해됩니다(96%). |
| Human Drugs | Breast FeedingLactationMilk, HumanAntihypertensive AgentsThiazide DiureticsFDA approved drugs -> Active ingredientPharmaceuticalsAntihypertensive medicines |
| 녹는점 | 160-162161 °C160-162°C |
| Physical Description | Solid |
| Dissociation Constants | 8.8 |
| Collision Cross Section | 195.9 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7044633]184.6 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]191.35 Ų [M+Na]+ [CCS Type: TW185.6 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| 끓는 점 | 110.4°C (rough estimate) |
| 밀도 | 1.2895 (rough estimate) |
| 굴절률 | 1.6100 (estimate) |
| 저장 조건 | -20°C Freezer |
| pKa(산도 계수) | pKa (25°) 8.8 ± 0.2 |
| 물리적 상태 | Solid |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 에탄올에 용해됩니다. 물에 불용성 |
| Merck | 14,4935 |
| BCS Class | 1 |
| InChIKey | NDDAHWYSQHTHNT-UHFFFAOYSA-N |
| EPA | Benzamide, 3-(aminosulfonyl)-4-chloro-N-(2,3-dihydro-2-methyl-1H-indol-1-yl)- (26807-65-8) |
화학적 성질
Crystalline Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.5% (1 of 68) of reports.WarningH361 (86.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 14 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Indapamide: Non hazardous |
| Hazard Classes and Categories | Repr. 2 (86.8%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)IndapamideAmbiguous-DILI-concern5Adverse reactionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | CV2451200 |
| 독성 | LD50 in rats, mice, guinea pigs (mg/kg): 393-421, 410-564, 347-416 i.p.394-440, 577-635, 272-358 i.v.>3000 all species orally (Kyncl) |
| 관세 코드 | 2935904000 |
| 기존화학 물질 | KE-01595 |
용도
개요
Indapamide is a derivative of benzolsulfonamide and its mechanism of action is analogous to that of thiazides. It is intended for lowering arterial blood pressure and as an adjuvant drug for treating edema caused by cardiac insufficiency. Indapamide can be detected in urine. This product is intended for research and forensic applications.