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Nepitrin

Nepitrin structure

CAS No:
569-90-4
Formula:
C22H22O12
Chemical Name:
Nepitrin
Synonyms:
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-;Nepitrin;Flavone,3′,4′,5,7-tetrahydroxy-6-methoxy-,7-β-D-glucopyranoside;2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one;6-Methoxyluteolin 7-glucoside;6-Methoxyluteolin 7-O-glucoside;Nepetin 7-O-β-D-glucoside;Nepetin 7-O-β-D-glucopyranoside;Eupafolin 7-O-β-glucoside;Eupafolin 7-O-β-D-glucopyranoside;Eupafolin 7-β-glucoside;Nepetrin;Nepetin 7-O-glucoside;Nepetin-7-glucoside;27923-79-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].

Solid

Nepitrin Basic Attributes

Molecular Weight：

478.406

Exact Mass：

478.40

UNII：

S9ZMJ20NUO

Characteristics

PSA：

196

XLogP3：

-0.68

Appearance：

Solid

Density：

1.7±0.1 g/cm3

Melting Point：

252 - 256 °C

Boiling Point：

844.7±65.0 °C at 760 mmHg

Flash Point：

294.9±27.8 °C

Refractive Index：

1.715

Drug Information

MeSH Entry Terms：

5,3',4'-trihydroxy-6-methoxyflavone

Computed Properties

Molecular Weight:478.4
XLogP3:0.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:478.11112613
Monoisotopic Mass:478.11112613
Topological Polar Surface Area:196
Heavy Atom Count:34
Complexity:760
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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nepitrin

CAS No.: 569-90-4

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