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기본 정보
- CAS
3423-07-2- 표준 SMILES
COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)N(C)CC2- InChIKey
BOKVLBSSPUTWLV-INIZCTEOSA-N- 분자식
- C18H21NO3
- 평균 분자량
- 299.37 g/mol
- 단동위원소 질량
- 299.15214353
이름 및 식별자
- 우선 이름
- 1-[(4-Hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- IUPAC
- (1S)-1-[(4-Hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
- 영어명
- 1α-(4-Hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol
- 분자식
- C18H21NO3
- 분자량
- 299.36
이름 및 동의어
N-Methylcoclaurine(S)-N-Methylcoclaurine(+)-S-N-Methylcoclaurine1α-(4-Hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol(1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-2-methyl-6-methoxyisoquinolin-7-ol(1S)-1-[(4-Hydroxyphenyl)methyl]-2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline-7-ol7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (1S)-
데이터베이스 식별자
- CAS
3423-07-2- PubChem CID
- 440584
- DTXSID
DTXSID90955772- ChEMBL
CHEMBL513109- ChEBI
CHEBI:17041- UNII
- NGK4QA23PL
- Nikkaji
- J351.144H
물성
물리화학적 성질
- 녹는점
- 139 · 139-139.5 °C(Solv: methanol (67-56-1))
- 끓는 점
- 480.9 · 480.9±45.0 °C(Predicted)
- 밀도
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10 · 10.00±0.15(Predicted)
화학 및 산업
응용 분야
개요This alkaloid, obtained from Glaucium fimbrilligerum, belongs to the benzylisoquinoline class of bases. Chemical analysis and degradations show that it contains one methoxyl group and two phenolic hydroxyl groups in the molecule. The full structure given has been determined from spectroscopic studies.
용도(+)-S-N-methylcoclaurine is an structure analog of Coclaurine (C633550), a benzyltetrahydroisoquinoline alkaloid extracted from Magnolia salicifolia.
공급사9 곳
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