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Substance Name: EINECS 302-124-3
RN: 94089-24-4
InChIKey: PLWYIGBVGYMDOB-XKKAXVAMSA-N

Molecular Formula

  • C15-H26-N2.x-C12-H12-N2-O3

Molecular Weight

  • 466.6222
 
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Names and Synonyms

Results Name

  • EINECS 302-124-3

Synonym

  • EINECS 302-124-3

Systematic Name

  • 5-Ethyl-5-phenylbarbituric acid, compound with (7S-(7alpha,7aalpha,14alpha,14abeta))-dodecahydro-7,14-methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine

Registry Numbers

CAS Registry Number

  • 94089-24-4

System Generated Number

  • 0094089244

Molecular Formulas

Molecular Formula

  • C15-H26-N2.x-C12-H12-N2-O3

Molecular Formula Fragments

  • C12-H12-N2-O3
  • C15-H26-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H26N2.C12H12N2O3/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h12-15H,1-11H2;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t12-,13+,14-,15-;/m1./s1

InChIKey

PLWYIGBVGYMDOB-XKKAXVAMSA-N

Smiles

C1(=O)C(C(=O)NC(=O)N1)(c1ccccc1)CC.N12[C@@H]([C@@H]3CN4[C@@H]([C@@H](C1)C3)CCCC4)CCCC2