![15H-14,18-Methano-6H,14H-dibenzo[b,i][1,11,4,8]dioxadiazacyclotetrad ecine, urea deriv.](/api/spectrum/BVJbqfDbySS/structure.png?h=300&w=458 "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 |
| Mol Weight | 593.5 g/mol |
| Molecular Formula | C27H34Cl2N6O5 |
| Exact Mass | 592.196774 g/mol |
Mass Spectrum (GC)
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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. |
| Alternate Name(s) | 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)- |
| 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 |
| Wiley ID | 1409462 |