4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)Phenol

HCID 98348

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Basic information

CAS: 3423-14-1
Standard SMILES: COc1cc2c(cc1OC)C(Cc1ccc(O)cc1)N(C)CC2
InChIKey: ZBKFZIUKXTWQTP-UHFFFAOYSA-N
Molecular formula: C19H23NO3
Average molar mass: 313.4 g/mol
Monoisotopic mass: 313.1677936

Overview

(+/-)-armepavine has been reported in Euonymus europaeus, Nelumbo nucifera, and Berberis integerrima with data available.

Names & identifiers

Preferred name: 4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)Phenol
IUPAC: 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
English name: armepavine
Molecular formula: C19H23NO3
Molecular weight: 313.39082

Names & synonyms

4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol4-((6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinolin-1-Yl)Methyl)PhenolRefChem:10696655884-67-3(+/-)-armepavineArmepavine, (+/-)-MLS000110731CHEMBL451722SMR0001066604-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenolPhenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-, (+-)-3423-14-1

Show more names

D,L-Armepavine()-Armepavine(+-)-ArmepavineR-(-)-Armepavine(+/-) ArmepavineDL-ARMEPAVINEOpera_ID_467Oprea1_071832

Database identifiers

CAS: 3423-14-1、524-20-9、5884-67-3
PubChem CID: 98348
DTXSID: DTXSID50955773
ChEMBL: CHEMBL451722

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 370

Chemistry & industry

Suppliers15 total

广州怡然生物科技有限公司—

武汉博欧特生物科技有限公司[email protected]

南京赛泓瑞生物科技有限公司[email protected]

上海熹垣生物科技有限公司021-58116080 18019263206 · [email protected]

湛江科铭科技有限公司—

Related reactions

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Compound notes

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