15H-14,18-Methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetrad ecine, urea deriv.

SpectraBase Compound ID	BMSsJGm0BtR
InChI	InChI=1S/C27H34Cl2N6O5/c28-11-3-13-30-25(36)32-19-7-1-9-21-23(19)39-17-6-18-40-24-20(33-26(37)31-14-4-12-29)8-2-10-22(24)35-16-5-15-34(21)27(35)38/h1-2,7-10H,3-6,11-18H2,(H2,30,32,36)(H2,31,33,37)
InChIKey	PDEKCRXNKNGOPU-UHFFFAOYSA-N Google Search
Mol Weight	593.5 g/mol
Molecular Formula	C27H34Cl2N6O5
Exact Mass	592.196774 g/mol

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SpectraBase Spectrum ID	BVJbqfDbySS
Name	15H-14,18-Methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetrad ecine, urea deriv.
CAS Registry Number	107913-55-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H34Cl2N6O5
InChI	InChI=1S/C27H34Cl2N6O5/c28-11-3-13-30-25(36)32-19-7-1-9-21-23(19)39-17-6-18-40-24-20(33-26(37)31-14-4-12-29)8-2-10-22(24)35-16-5-15-34(21)27(35)38/h1-2,7-10H,3-6,11-18H2,(H2,30,32,36)(H2,31,33,37)
InChIKey	PDEKCRXNKNGOPU-UHFFFAOYSA-N
Molecular Weight	593.512 g/mol
SMILES	N(C(=O)NCCCCl)c1c2c(N3C(N(c4c(c(ccc4)NC(=O)NCCCCl)OCCCO2)CCC3)=O)ccc1
SPLASH	splash10-03di-0900400000-f39546a4effc40d26738
Source of Spectrum	C-109-3105-19
Synonyms	Urea, N,N''-(7,8,16,17-tetrahydro-19-oxo-15H-14,18-methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetradecine-4,10-diyl)bis[N'-(3-chloropropyl)- N,N''-(7,8,16,17-tetrahydro-19-oxo-15H-14,18-methano-6H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetradecane-4,10-diyl)bis[N'(3-chloropropyl)urea] N-(3-chloropropyl)-N'-[14-({[(3-chloropropyl)amino]carbonyl}amino)-23-oxo-8,12-dioxa-1,19-diazatetracyclo[17.3.1.0(2,7).0(13,18)]tricosa-2,4,6,13,15,17-hexaen-6-yl]urea Urea, N,N''-(7,8,16,17-tetrahydro-19-oxo-15H-14,18-methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetradecine-4,10-diyl)bis[N'-(3-chloropropyl)-
Wiley ID	1409462