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Novobiocic acid

Novobiocic acid structure

CAS No:
485-23-4
Formula:
C22H21NO6
Chemical Name:
Novobiocic acid
Synonyms:
Benzamide,N-(4,7-dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)-;Benzamide,N-(4,7-dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-;Coumarin,4,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)benzamido]-8-methyl-;N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide;Novobiocic acid;3818-65-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Novobiocic acid is a hydroxycoumarin that is the aglycone of novobiocin. It has a role as a metabolite. It is a member of benzamides, a hydroxycoumarin and a polyphenol. It is a conjugate acid of a novobiocic acid(1-).

Novobiocic acid Basic Attributes

Molecular Weight：

395.40500

Exact Mass：

395.41

DSSTox ID：

DTXSID60197541

Characteristics

PSA：

120.00000

XLogP3：

4.05220

Density：

1.42g/cm3

Melting Point：

167-175 °C

Boiling Point：

667.6ºC

Flash Point：

357.6ºC

Refractive Index：

1.679

Vapor Pressure：

9.82E-19mmHg at 25°C

Computed Properties

Molecular Weight:395.4
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:395.13688739
Monoisotopic Mass:395.13688739
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:710
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 485-23-4

Grade: Industrial Grade

Content: 99%

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