기본 정보
- CAS
71-81-8- 표준 SMILES
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-]- InChIKey
BFSMWENDZZIWPW-UHFFFAOYSA-N- 분자식
- C23H33IN2O
- 평균 분자량
- 480.4 g/mol
- 단동위원소 질량
- 480.16376
개요
Isopropamide iodide is a diarylmethane.
이름 및 식별자
- 우선 이름
- Isopropamide Iodide
- IUPAC
- (4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium iodide
- 현지명
- N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄
- 영어명
- Isopropamide iodide
- 분자식
- C23H33IN2O
- 분자량
- 480.43
이름 및 동의어
Isopropamide Iodide71-81-8DarbidDipramidDipramidePiaccamidePriamidePriazimideSanulcinTyrimideIsamidMarygin-M
이름 더 보기
N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄염(예:아이소프로파미드아이오다이드)아이소프로파미드아이오다이드ISOPROPAMIDEr795579mdskf4740
Iodure d'isopropamideIoduro de isopropamidaIsoproponum iodideIsopropamide ioduroIsopropamidi iodidumE0KNA372SZ(3-Carbamoyl-3,3-diphenylpropyl)diisopropylmethylammonium iodideDTXSID30221221
데이터베이스 식별자
- CAS
71-81-8- PubChem CID
- 6284
- DTXSID
DTXSID30221221- ChEMBL
CHEMBL1200347- ChEBI
CHEBI:6044- UNII
- E0KNA372SZ
- EC Number
- 200-766-8
물성
구조 계산 물성
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 419
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section186.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 199 ℃ · 199℃ (Decomposition)
- 밀도
- 1.2711 · 1.2711 (estimate)
- 저장 조건
- -20 °C · Store at -20°C
- 수용성
- 물에 거의 녹지 않음
- 용해도
- 250 mg/mL · DMSO: 250 mg/mL (520.37 mM)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- Merck
- 14 · 14,5202
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C23H33N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H2,24,26);1H
- InChIKey
- ZTDSVARXIUOODA-UHFFFAOYSA-N
- SMILES
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (98%): 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationBenzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (98%)
안전 데이터
- wgk
- 2
- rtecs
- BP0693200
- 독성
- LD50 oral in rat: > 10gm/kg
- HS 번호
- 2924296000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Isopropamide Iodide acts as an anticholinergic compound with inhibitory activity. Also acts as a muscarinic receptor antagonist which can be applied to treatment of diseases affecting cognition including Alzheimer’s disease.
용도Isopropamide inhibits muscarinic action of acetylcholine on postganglionic parasympathetic effector regions. It is used for treating stomach ulcers and inflamed intestine.
일반 설명Isopropamide iodide, 3-carbamoyl-3,3-diphenylpropyl)diisopropylmethylammoniumiodide (Darbid), occurs as a bitter, white to pale yellow, crystallinepowder that is only sparingly soluble in water butfreely soluble in chloroform and alcohol.This drug, introduced in 1957, is a potent anticholinergic,producing atropine-like effects peripherally. Even with itsquaternary nature, it does not cause sympathetic blockade atthe ganglionic level except at high dosages. Its principal distinguishingfeature is its long duration of action. A singledose can provide antispasmodic and antisecretory effects foras long as 12 hours.
상·하류 제품 정보
상류 원료
공급사54 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
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