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Substance Name: 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)
RN: 74261-18-0
InChIKey: MHSMDHLDCCTRIC-UHFFFAOYSA-N

Molecular Formula

  • C23-H23-N-O5.1/2C2-H6-N2-O

Molecular Weight

  • 869.019
 
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Names and Synonyms

  • 12H-7,11-Nitrilo-6H-dibenzo(b,k)(1,4,7,10,13)pentaoxacycloeicosin, 19,20,22,23-tetrahydro-, compd. with N-methyl-N-nitrosomethanamine (2:1)

Registry Numbers

CAS Registry Number

  • 74261-18-0

System Generated Number

  • 0074261180

Molecular Formulas

Molecular Formula

  • C23-H23-N-O5.1/2C2-H6-N2-O

Molecular Formula Fragments

  • C2-H6-N2-O
  • C23-H23-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H27NO5.C2H6N2O/c2*1-2-9-20-19(8-1)26-13-12-25-16-23-24-17(14-27-20)6-5-7-18(24)15-28-21-10-3-4-11-22(21)29-23;1-4(2)3-5/h2*1-4,8-11,17-18,23H,5-7,12-16H2;1-2H3

InChIKey

MHSMDHLDCCTRIC-UHFFFAOYSA-N

Smiles

O1c2c(O[C@@H]3[N@@]4[C@@H](CCC[C@@H]4COc4c(OCCOC3)cccc4)C1)cccc2.N(C)(N=O)C.O1c2c(O[C@@H]3[N@@]4[C@@H](CCC[C@@H]4COc4c(OCCOC3)cccc4)C1)cccc2