2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol
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![2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/065e77cb64af44cfbf025287db17acf6.png "2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol")
2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol
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CAS No:
107088-83-5
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Formula:
C23H27N5O3
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Chemical Name:
2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol
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Synonyms:
1-Piperazineethanol, 4-(3-(8H-dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-, N-oxide;107088-83-5;4-(3-(8H-Dibenz(b,f)(1,2,5)oxadiazolo(3,4-d)azepin-8-yl)propyl)-1-piperazineethanol N-oxide;DTXSID10147894
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CAS No:
2-[4-[3-(4-oxa-3,5,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)propyl]-1-oxidopiperazin-1-ium-1-yl]ethanol Basic Attributes
421.5 g/mol
421.21138974 g/mol
DTXSID10147894
Computed Properties
Molecular Weight:421.5
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:421.21138974
Monoisotopic Mass:421.21138974
Topological Polar Surface Area:83.7
Heavy Atom Count:31
Complexity:558
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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