1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid
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1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid
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CAS No:
81320-23-2
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Formula:
C26H30ClNO9
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Chemical Name:
1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid
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Synonyms:
N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate; N-Pentamethylene 2-(3-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine citrate [French]; Piperidine,1-(2-(3-chloro-11H-dibenzo(b,e)(1,4)dioxepin-11-yl)ethyl)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1); 1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine;
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CAS No:
1-[2-(9-chloro-6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]piperidine,2-hydroxypropane-1,2,3-tricarboxylic acid Basic Attributes
535.97100
535.1609092
Computed Properties
Molecular Weight:536.0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:535.1609092
Monoisotopic Mass:535.1609092
Topological Polar Surface Area:154
Heavy Atom Count:37
Complexity:629
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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