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1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone

1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone structure

CAS No:
38714-92-0
Formula:
C22H23NO5
Chemical Name:
1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone
Synonyms:
Pseudocoralyne;Acetopapaverine;38714-92-0;NSC98542;Ethanone, 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-;NSC-98542;Ethanone, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)-;1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone;1-(2-((6,7-Dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)ethanone;6'-Acetylpapaverine;NSC 98542;NCIMech_000096;BIDD:GT0528;SCHEMBL7344930;CHEMBL1985628;DTXSID80192013;ZINC604168;CCG-35314;AKOS024399259;MCULE-7411835491;NCI60_042201;ST 38218;Acetophenone,7-dimethoxy-1-isoquinolyl)methyl]-4',5'-dimethoxy-;1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]ethanone;2'-[6,7-Dimethoxy-1-isoquinolyl)methyl]-4',5'-dimethoxyacetophenone

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1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone Basic Attributes

Molecular Weight：

381.4 g/mol

Exact Mass：

381.15762283 g/mol

NSC Number：

98542

DSSTox ID：

DTXSID80192013

Characteristics

PSA：

66.9 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:381.4
XLogP3:3.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:381.15762283
Monoisotopic Mass:381.15762283
Topological Polar Surface Area:66.9
Heavy Atom Count:28
Complexity:515
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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