Atropine oxide
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Atropine oxide
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CAS No:
4438-22-6
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Formula:
C17H23NO4
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Chemical Name:
Atropine oxide
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Synonyms:
Benzeneacetic acid,α-(hydroxymethyl)-,8-methyl-8-oxido-8-azabicyclo[3.2.1]oct-3-yl ester,endo-;1αH,5αH-Tropan-3α-ol (±)-tropate (ester),8-oxide;Benzeneacetic acid,α-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(±)-,N-oxide;Atropine,N-oxide;Atropine oxide;Genatropine;Aminoxytropine tropate;Atropine aminoxide;NSC 72861;22885-71-8
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CAS No:
Characteristics
64.6
1.3
127-128 °C
LD50 subcutaneous in mouse: 1gm/kg
172.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:305.4
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:305.16270821
Monoisotopic Mass:305.16270821
Topological Polar Surface Area:64.6
Heavy Atom Count:22
Complexity:394
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Antispasmodic, bronchodilator
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