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Substance 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 (2:1)
RN: 85029-92-1
InChIKey: FDMHKCAUYPMEOE-KXWVDFCNSA-N

Molecular Formula

  • C15-H26-N2.2C12-H12-N2-O3

Molecular Weight

  • 698.86
 
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Names and Synonyms

Synonym

  • EINECS 285-115-6

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 (2:1)

Registry Numbers

CAS Registry Number

  • 85029-92-1

System Generated Number

  • 0085029921

Molecular Formulas

Molecular Formula

  • C15-H26-N2.2C12-H12-N2-O3

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

FDMHKCAUYPMEOE-KXWVDFCNSA-N

Smiles

CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.C1CCN2C[C@@H]3C[C@@H]([C@H]2C1)CN4[C@@H]3CCCC4