AMbroxolEP불순물D

Ambroxol

HCID 2132CAS 107814-37-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1
InChIKey: JBDGDEWWOUBZPM-PHIMTYICSA-N
분자식: C13H18Br2N2O
평균 분자량: 378.1 g/mol

개요

Ambroxol is an aromatic amine.

이름 및 식별자

우선 이름: Ambroxol
IUPAC: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
현지명: AMbroxolEP불순물D
영어명: AMbroxol EP IMpurity D
분자식: C13H18Br2N2O
분자량: 378.1

이름 및 동의어

ambroxol18683-91-5107814-37-9rac-cis-AmbroxolAmbroxol EP Impurity D36557-04-74-((2-amino-3,5-dibromobenzyl)amino)cyclohexan-1-olcis-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanolBisolvon metabolite VIII4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanolBromhexine-metabolite VIIINA-872

이름 더 보기

AMbroxolEP불순물DAMbroxol IMpurity DAmbroxol impurity D HClAmbroxol Impurity D baseAmbroxol Impurity 3 Monomercis-4-[(2-Amino-3,5-dibromobenzyl)aAMbroxol EP IMpurity DHYDROCHLORIDEd.?cis-4-[(2-amino-3,5-dibromobenzyl)amino]cyclohexanol,

trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanolC13H18Br2N2OTabcincis-Ambroxol4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-olAmbroxol, cis-Ambroxol [INN]1217679-83-8

데이터베이스 식별자

CAS: 107814-37-9、18683-91-5
PubChem CID: 2132
DTXSID: DTXSID60860228
ChEMBL: CHEMBL1477775
ChEBI: CHEBI:135590
UNII: 200168S0CL、QH6ZT6J071
Nikkaji: J13.659J、J3.274.453B

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 58.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 259

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

Solubility>56.7 [ug/mL] (The mean of the results at pH 7.4)

Human DrugsPharmaceuticals

Melting Point233-234.5

Collision Cross Section170.21 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 56 · 56-61oC
끓는 점: 468.6 · 468.6±45.0 °C(Predicted)
밀도: 1.7 · 1.70±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 15.12 · 15.12±0.40(Predicted)
색상: 무색~베이지색
안정성: 흡습성
InChI: InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11+
InChIKey: JBDGDEWWOUBZPM-PHIMTYICSA-N
SMILES: [C@@H]1(O)CC[C@H](NCC2=CC(Br)=CC(Br)=C2N)CC1

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

ATC CodeR05CB06

Protein BindingApproximately 90%

Mechanism of Action · 1건

Ambroxol is a mucolytic agent. Excessive Nitric oxide (NO) is associated with inflammatory and some other disturbances of airways function. NO enhances the activation of soluble guanylate cyclase and cGMP accumulation. Ambroxol has been shown to inhibit the NO-dependent activation of soluble guanylate cyclase. It is also possible that the inhibition of NO-dependent activation of soluble guanylate cyclase can suppress the excessive mucus secretion, therefore it lowers the phlegm viscosity and improves the mucociliary transport of bronchial secretions.

Biological Half-Life7-12 hours

Metabolism/MetabolitesAmbroxol has known human metabolites that include 4-Aminocyclohexanol, cis- and 2-Amino-3,5-dibromobenzaldehyde.

Absorption, Distribution and ExcretionRapid and almost complete.

용도 및 제조

Use ClassificationPharmaceuticals

응용 분야

용도cis-Ambroxol is the cis-isomeric impurity of Ambroxol (A575905). cis-Ambroxol is a metabolite Bromhexine (B678600).

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

연결된 노트

불러오는 중…