1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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![1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5ba074b0804a49969161c65d94815955.png "1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol")
1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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CAS No:
36120-58-8
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Formula:
C16H18N2O4
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Chemical Name:
1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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Synonyms:
1-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline;PTIQ;36120-58-8;1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;1-(3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;1,2,3,4-Tetrahydro-1-(3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)-6,7-isoquinolinediol;1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline;1-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline;6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)-;SCHEMBL11484647;DTXSID60957541
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CAS No:
1-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Basic Attributes
302.32 g/mol
302.12665706 g/mol
Drug Information
1-(2-methyl-3-hydroxy-5-hydroxymethyl-4-pyridyl)-6,7-dihydroxy-1,2-3,4-tetrahydroisoquinoline
Computed Properties
Molecular Weight:302.32
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:302.12665706
Monoisotopic Mass:302.12665706
Topological Polar Surface Area:106
Heavy Atom Count:22
Complexity:383
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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