Guan-fu base A
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Guan-fu base A
structure -
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CAS No:
1394-48-5
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Formula:
C24H31NO6
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Chemical Name:
Guan-fu base A
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Synonyms:
Hetisan-2,11,13,14-tetrol,2,13-diacetate,(2α,11α,13R)-;Kwan-fu base A;1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole,hetisan-2,11,13,14-tetrol deriv.;Guan-fu base A;Acehytisine
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CAS No:
Description
Guanfu base A is an antiarrhythmic alkaloid isolated from Aconitum coreanum and is a potent noncompetitive CYP2D6 inhibitor, with a Ki of 1.20 μM in human liver microsomes (HLMs) and a Ki of 0.37 μM for the human recombinant form (rCYP2D6). Guanfu base A is also a potent competitive inhibitor of CYP2D in monkey (Ki of 0.38 μM) and dog (Ki of 2.4 μM) microsomes[1]. Guanfu base A also inhibits HERG channel current[2].
Characteristics
96.30000
0.93
1.4±0.1 g/cm3
551.4±50.0 °C at 760 mmHg
287.3±30.1 °C
1.648
5.55E-14mmHg at 25°C
Computed Properties
Molecular Weight:429.5
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:429.21513771
Monoisotopic Mass:429.21513771
Topological Polar Surface Area:96.3
Heavy Atom Count:31
Complexity:966
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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