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Substance Name: Binaltorphimine
RN: 105618-27-7
InChIKey: DKIVQMBUHVYDFC-IWRYZOJTSA-N

Note

  • Kappa opiate receptor antagonist.

Molecular Formula

  • C41-H45-N3-O6

Molecular Weight

  • 675.821
 
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Names and Synonyms

Name of Substance

  • Binaltorphimine

Synonyms

  • Binaltorphimine
  • Bni ligand

Systematic Name

  • 4,8:11,15-Dimethano-20H-bisbenzofuro(2,3-a:3',2'-i)dipyrido(4,3-b:3',4'-h)carbazole-1,8a,10a,18-tetrol, 7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,19a,20b-dodecahydro-20-methyl-, (8R-(4bS*,8alpha,8abeta,10aalpha,11beta,14aS*,19aalpha,20bbeta))-

Registry Numbers

CAS Registry Number

  • 105618-27-7

System Generated Number

  • 0105618277

Structure Descriptors

InChI

1S/C41H45N3O6/c1-42-32-24(16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,36(32)49-34)10-12-43(28)18-20-2-3-20)25-17-41(48)29-15-23-7-9-27(46)35-31(23)39(41,37(50-35)33(25)42)11-13-44(29)19-21-4-5-21/h6-9,20-21,28-29,36-37,45-48H,2-5,10-19H2,1H3/t28-,29-,36+,37+,38+,39+,40-,41-/m1/s1

InChIKey

DKIVQMBUHVYDFC-IWRYZOJTSA-N

Smiles

c12[C@@]34[C@@H]5c6c(c7C[C@@]8([C@@H]9[N@@](CC%10CC%10)CC[C@@]%108[C@H](c7n6C)Oc6c(ccc(c%106)C9)O)O)C[C@@]3([C@H]([N@@](CC3CC3)CC4)Cc2ccc(c1O5)O)O