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3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone

3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone structure

CAS No:
24159-07-7
Formula:
C16H19N3O3
Chemical Name:
3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone
Synonyms:
4(3H)-Quinazolinone,3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-;Febrifugine;3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone;β-Dichroine;Dichroin B;β-Dichroin;(+)-Febrifugine;NSC 315535;trans-(+)-Febrifugine;486-68-0;732982-92-2;880384-80-5
Categories:
Biochemical Engineering > Chinese Herbs

Description

Febrifugine is a quinazolinone alkaloid found in the roots and leaves of Dichroa febrifuga, with antimalarial activity [1].

3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone Basic Attributes

Molecular Weight：

301.344

Exact Mass：

301.34

NSC Number：

315535

HScode：

2933990090

Characteristics

PSA：

84.22000

XLogP3：

-0.04

Density：

1.4±0.1 g/cm3

Melting Point：

145 °C

Boiling Point：

508.2±60.0 °C at 760 mmHg

Flash Point：

261.1±32.9 °C

Refractive Index：

1.673

Vapor Pressure：

3.76E-11mmHg at 25°C

Toxicity：

LD50 orally in white mice: 2.5-3.0 mg/kg (Koepfli, 1949)

Specific rotation：

D25 +6° (c = 0.5 in chloroform); D25 +28° (c = 0.5 in ethanol)

Drug Information

MeSH Entry Terms：

febrifugine

Computed Properties

Molecular Weight:301.34
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:301.14264148
Monoisotopic Mass:301.14264148
Topological Polar Surface Area:82
Heavy Atom Count:22
Complexity:466
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Recommended Suppliers
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3-[3-[(2R,3S)-3-Hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone

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