N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄
N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄 · N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄염(예:아이소프로파미드아이오다이드) · 아이소프로파미드아이오다이드 · ISOPROPAMIDE · r79 · darbid · 5579md · isamid
식별자 및 물리적 특성
| CAS No. | 71-81-8 |
|---|---|
| 분자식 | C23H33IN2O |
| 평균 분자량 | 480.4 g/mol |
| 단동위원소 질량 | 480.16376 g/mol |
| SMILES | CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-] |
| InChIKey | BFSMWENDZZIWPW-UHFFFAOYSA-N |
| PubChem CID | 6284 |
| ChEMBL | CHEMBL1200347 |
| ChEBI | CHEBI:6044 |
| EC No. | 200-766-8 |
| DTXSID | DTXSID30221221 |
| 현지명 | N-(3-카바모일-3,3-다이페닐프로필)-N,N-다이아이소프로필메틸암모늄 |
화학 및 물리적 성질
| 극성 표면적 | 43.1 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 419 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Animal Drugs | FDA approved animal drugs -> Active ingredient |
| Collision Cross Section | 186.9 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 199℃ (Decomposition) |
| 밀도 | 1.2711 (estimate) |
| 저장 조건 | Store at -20°C |
| 용해도 | 물에 거의 녹지 않음 |
| 용해도 | DMSO: 250 mg/mL (520.37 mM) |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 거의 흰색 |
| Merck | 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 | I.CC(C)[N](C)(CCC(C(N)=O)(c1ccccc1)c2ccccc2)C(C)C |
안전 및 규제
| GHS 분류 | WarningH315 (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. |
|---|---|
| 규제 정보 | Benzenepropanaminium, .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 |
| 기타 안전 정보 | IMAP assessments - Benzenepropanaminium, .gamma.-(aminocarbonyl)-N-methyl-N,N-bis(1-methylethyl)-.gamma.-phenyl-, iodide: Environment tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | BP0693200 |
| 독성 | LD50 oral in rat: > 10gm/kg |
| 관세 코드 | 2924296000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Isopropamide 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.
용도
Isopropamide inhibits muscarinic action of acetylcholine on postganglionic parasympathetic effector regions. It is used for treating stomach ulcers and inflamed intestine.
일반 설명
Isopropamide 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.