 Home > Encyclopedia > 4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide

4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide

4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide structure

CAS No:
3811-31-2
Formula:
C22H24N2O8
Chemical Name:
4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide
Synonyms:
Isotetracycline;

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4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide Basic Attributes

Molecular Weight：

444.43500

Exact Mass：

444.15326573

Characteristics

PSA：

168.45000

XLogP3：

1.06420

Density：

1.55g/cm3

Boiling Point：

712.2ºC

Flash Point：

384.5ºC

Refractive Index：

1.684

Computed Properties

Molecular Weight:444.4
XLogP3:1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:444.15326573
Monoisotopic Mass:444.15326573
Topological Polar Surface Area:168
Heavy Atom Count:32
Complexity:929
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(dimethylamino)-1,8a-dihydroxy-6-(4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl)-3,8-dioxo-4a,5,6,7-tetrahydro-4H-naphthalene-2-carboxamide

Basic Attributes
Characteristics
Computed Properties

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