기본 정보
- CAS
53251-94-8- 표준 SMILES
COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-]- InChIKey
IKGXLCMLVINENI-UHFFFAOYSA-M- 분자식
- C26H41Br2NO4
- 평균 분자량
- 591.4 g/mol
- 단동위원소 질량
- 589.14023
개요
Pinaverium Bromide is an orally available bromide salt form of pinaverium, a calcium channel blocker (CCB) with antispasmodic activity. Upon oral administration, pinaverium blocks the voltage-dependent calcium channels and inhibits calcium ion influx into the smooth muscle cells located in the gastrointestinal (GI) tract. This prevents smooth muscle contraction and relaxes the GI tract. In addition, pinaverium may both reduce bowel uptake of and facilitate the function of locally active, co-administered drugs.
이름 및 식별자
- 우선 이름
- Pinaverium Bromide
- IUPAC
- 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium bromide
- 영어명
- Pinaverium bromide
- 분자식
- C26H41BrNO4.Br
- 분자량
- 591.42
이름 및 동의어
PINAVERIUM BROMIDE53251-94-8DicetelBromuro de pinaverioBromure de pinaveriumPinaverii bromidumLAT-1717PinverinDTXSID2048614pinaverio bromuropinavArium (cation)7SCF54H12J
이름 더 보기
PinaveriumPINAVERIUM BROMIDE-D4D07094EldicetD bromideBROMURO PINAVERIO
DTXCID90285404-(6-Bromoveratryl)-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromideRefChem:174305A03AX04258-450-0Morpholinium, 4-((2-Bromo-4,5-dimethoxyphenyl)methyl)-4-(2-(2-(6,6-dimethylbicyclo(3.1.1)hept-2-yl)ethoxy)ethyl)-, BromideL-Pinaverium bromideLAT 1717
데이터베이스 식별자
- CAS
53251-94-8- PubChem CID
- 40703
- DTXSID
DTXSID2048614- ChEMBL
CHEMBL1909298- EC Number
- 258-450-0
물성
구조 계산 물성
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 596
물리화학적 성질
- 녹는점
- 159 · 159-1640C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChIKey
- IKGXLCMLVINENI-AYXRDWEXNA-M
- SMILES
- [N+]1(CCOCCC2CC[C@@]3([H])C[C@]2([H])C3(C)C)(CCOCC1)CC1C(Br)=CC(OC)=C(OC)C=1.[Br-] |&1:9,12,r|
화학적 성질
White Crystalline Powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Warning
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
안전 데이터
- 독성
- LD50 in mice (mg/kg): 1400 orally; 66 i.v. (Baronnet, 1974); LD50 i.v. in mice: 37 ±2.4 mg/kg (Baronnet et al.)
- HS 번호
- 2934999090
- 기존화학 물질
- KE-03653
화학 및 산업
약리 정보
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
상·하류 제품 정보
상류 원료
공급사100 곳
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉远启医药化工有限公司18971192297 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉卓元易创科技有限公司13476791851 13476791851 · [email protected]
山东雨禾医药科技有限公司15263077727 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
山东铭枫医药科技有限公司053155551677 15315114555 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…