Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
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Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
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CAS No:
50587-95-6
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Formula:
C32H55N2O3.Br
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Chemical Name:
Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
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Synonyms:
Piperidinium,1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-,bromide;Androstane,piperidinium deriv.;Org-NC 58
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CAS No:
Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide Basic Attributes
595.6947
594.34
2933399090
Safety Information
P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
H300
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide Use and Manufacturing
1-[(2β,3α,5α,16β,17β)-3-(Acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methylpiperidinium Bromide, is the metabolite of Vecuronium Bromide (V102500), having neuromuscular and vagal blocking actions.
Computed Properties
Molecular Weight:595.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:594.33961
Monoisotopic Mass:594.33961
Topological Polar Surface Area:49.8
Heavy Atom Count:38
Complexity:851
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Piperidinium, 1-[(2β,3α,5α,16β,17β)-3-(acetyloxy)-17-hydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide
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