기본 정보
- CAS
3505-38-2- 표준 SMILES
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O- InChIKey
GVNWHCVWDRNXAZ-BTJKTKAUSA-N- 분자식
- C20H23ClN2O5
- 평균 분자량
- 406.9 g/mol
- 단동위원소 질량
- 406.1295495
개요
Carbinoxamine maleate is the maleic acid salt of carbinoxamine. An ethanolamine-type antihistamine, used for treating hay fever, as well as mild cases of Parkinson's disease. It has a role as a H1-receptor antagonist, an antiparkinson drug, a muscarinic antagonist and an anti-allergic agent. It contains a carbinoxamine.
이름 및 식별자
- 우선 이름
- Carbinoxamine Maleate
- IUPAC
- (Z)-but-2-enedioic acid;2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
- 현지명
- 카빈옥사민 말레인 산
- 영어명
- Carbinoxamine maleate salt
- 분자식
- C20H23ClN2O5
- 분자량
- 406.86
이름 및 동의어
CARBINOXAMINE MALEATE3505-38-2p-Carbinoxamine maleateParacarbinoxamine maleateKarbinal ERNSC-62362DTXSID0047828NSC6236202O55696WH2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine maleateDTXCID5027805CHEBI:31353
이름 더 보기
카빈옥사민말레인산카빈옥사민말레인산clistinciberonlergefinhislosineAllergefonMaleate clistinmaleateclistinemaleateallergefonmaleate
2-(p-Chloro-alpha-(2-(dimethylamino)ethoxy)benzyl)pyridine bimaleateEthanamine, 2-((4-chlorophenyl)-2-pyridinylmethoxy)-N,N-dimethyl-, (Z)-2-butenedioate (1:1)Ethanamine, 2-((4-chlorophenyl)-2-pyridinylmethoxy)-N,N-dimethyl-,(2Z)-2-butenedioate(1:1)Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (Z)-2-butenedioate (1:1)DavenolKarbinalRyVentRefChem:54715
데이터베이스 식별자
- CAS
3505-38-2- PubChem CID
물성
구조 계산 물성
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 386
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihistamines
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section167.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 116 · 116-1180C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 수용성
- Completely soluble in water
- 용해도
- Chloroform: Slightly Soluble; Methanol: Slightly Soluble
- 물리적 상태
- Solid
- 색상
- 흰색에서 거의 흰색
- Merck
- 14 · 14,1799
- 주요 응용
- 소분자 약용
- InChI
- 1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- InChIKey
- GVNWHCVWDRNXAZ-BTJKTKAUSA-N
- SMILES
- OC(=O)\C=C/C(O)=O.CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2
- EPA
- 2 · Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (2Z)-2-butenedioate (1:1) (3505-38-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (Z)-2-butenedioate (1:1): Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
독성 정보
Toxicity Summary
Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamine's anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Carbinoxamine maleate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
화학 및 산업
약리 정보
Metabolism/MetabolitesHalf Life: 10 to 20 hours
FDA Pharmacological Classification
CARBINOXAMINE MALEATE
Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
용도 및 제조
Uses
For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema.
General Manufacturing InformationEthanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (2Z)-2-butenedioate (1:1): ACTIVE
응용 분야
개요Carbinoxamine is a competitive histamine H1 receptor antagonist (Ki = 2.3 nM) and first generation antihistamine. It also competes with [3H]diltiazem, an L-type calcium channel blocker, for binding to the benzothiazepine site on rat cardiomyocytes (Ki = 1.08 nM). Carbinoxamine decreases negative inotropic activity in isolated guinea pig left atria by 76% (EC50 = 250 nM) and negative chronotropic activity in guinea pig spontaneously beating isolated right atria (EC50s = 250 and 480 nM, respectively) by 48% compared with control. Formulations containing carbinoxamine have been used in the treatment of allergic rhinitis.
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