기본 정보
- 표준 SMILES
COc1ccc(CC2NCCc3cc(OC)c(OC)cc32)cc1OC- InChIKey
YXWQTVWJNHKSCC-UHFFFAOYSA-N- 분자식
- C20H25NO4
- 평균 분자량
- 343.4 g/mol
- 단동위원소 질량
- 343.17835828
개요
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is a benzylisoquinoline alkaloid that is norlaudanosoline in which the four phenolic hydrogens have been replaced by methyl groups. It is a benzylisoquinoline alkaloid, a benzyltetrahydroisoquinoline, an aromatic ether, a polyether and a secondary amino compound.
이름 및 식별자
- 우선 이름
- (+-)-Tetrahydropapaverine
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- 영어명
- (+/-)-Tetrahydropapaverine
- 분자식
- C20H25NO4
- 분자량
- 343.42
이름 및 동의어
TETRAHYDROPAPAVERINE13074-31-2RefChem:905518(+-)-Tetrahydropapaverine235-968-51-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineR-Tetrahydropapaverine50896-90-71-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineisoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, hydroiodide1,2,3,4-Tetrahydropapaverine
이름 더 보기
NOR-LAUDANOSINErac-Nor Laudanosine(±)-N-NorlaudanosinePapaverine Impurity E(+/-)-Tetrahydropapaverine(+/-)-TETRAHYDROPAPAVERINE,98%1,2,3,4-Tetrahydro papaverine1,2,3,4-tetrahydro-6,7-dimethoxy-
Tetrahydropapaverin1-((3,4-Dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineEINECS 235-968-5Papaverine, 1,2,3,4-tetrahydro-Papaverine EP Impurity E(+/-)-N-NorlaudanosineTimTec1_002724Oprea1_802595
데이터베이스 식별자
- CAS
13074-31-2- PubChem CID
- 5418
- DTXSID
DTXSID701018689- ChEMBL
CHEMBL160919- ChEBI
CHEBI:195380- EC Number
- 235-968-5
- Nikkaji
- J317.793I
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 49 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 407
화학 및 산업
응용 분야
용도Norlaudanosine or Tetrahydroisoquinoline (THIQ) alkaloid is a tumor multi-drug resistance reversing agent.
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