CHEBI:77327 - CL-20

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ChEBI Name CL-20
ChEBI ID CHEBI:77327
Definition A polycyclic cage that is hexaazaisowurtzitane in which all six amino hydrogens are replaced by nitro groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H6N12O12
Net Charge 0
Average Mass 438.18500
Monoisotopic Mass 438.023
InChI InChI=1S/C6H6N12O12/c19-13(20)7-1-2-8(14(21)22)5(7)6-9(15(23)24)3(11(1)17(27)28)4(10(6)16(25)26)12(2)18(29)30/h1-6H
InChIKey NDYLCHGXSQOGMS-UHFFFAOYSA-N
SMILES [O-][N+](=O)N1C2C3N(C4C(N3[N+]([O-])=O)N(C(C1N4[N+]([O-])=O)N2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
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ChEBI Ontology
Outgoing CL-20 (CHEBI:77327) has role explosive (CHEBI:63490)
CL-20 (CHEBI:77327) is a N-nitro compound (CHEBI:38780)
CL-20 (CHEBI:77327) is a polycyclic cage (CHEBI:33640)
IUPAC Name
1,3,4,7,8,10-hexanitrooctahydro-1H-5,2,6-(epiminomethanetriylimino)imidazo[4,5-b]pyrazine
Synonyms Sources
Hexanitrohexaazaisowurtzitane ChemIDplus
HNIW ChemIDplus
Octahydro-1,3,4,7,8,10-hexanitro-5,2,6-(iminomethenimino)-1H-imidazo(4,5-b)pyrazine ChemIDplus
Manual Xref Database
Hexanitrohexaazaisowurtzitane Wikipedia
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Registry Numbers Types Sources
135285-90-4 CAS Registry Number ChemIDplus
4834707 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22191394 PubMed citation Europe PMC
23136867 PubMed citation Europe PMC
Last Modified
17 February 2014