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Substance Name: Pregnenolone-naltrexone azine
RN: 108743-74-4
InChIKey: BRUOIIRRNBKKHH-XSMYIDEESA-N

Note

  • Delta selective opiate antagonist.

Molecular Formula

  • C41-H55-N3-O4

Molecular Weight

  • 653.9025
 
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Names and Synonyms

Name of Substance

  • Pregnenolone-naltrexone azine

Synonyms

  • Naltrexone-pregnenolone mixed azine
  • PH-NX

Systematic Name

  • Pregn-5-en-20-one, 3-hydroxy-, ((5alpha,6E)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-ylidene)hydrazone, (3beta,20E)-

Registry Numbers

CAS Registry Number

  • 108743-74-4

System Generated Number

  • 0108743744

Structure Descriptors

InChI

1S/C41H55N3O4/c1-23(29-9-10-30-28-8-7-26-21-27(45)12-15-38(26,2)31(28)13-16-39(29,30)3)42-43-32-14-17-41(47)34-20-25-6-11-33(46)36-35(25)40(41,37(32)48-36)18-19-44(34)22-24-4-5-24/h6-7,11,24,27-31,34,37,45-47H,4-5,8-10,12-22H2,1-3H3/b42-23+,43-32+/t27-,28-,29+,30-,31-,34?,37+,38-,39+,40?,41?/m0/s1

InChIKey

BRUOIIRRNBKKHH-XSMYIDEESA-N

Smiles

C/C(=N\N=C\1/CCC2(C3Cc4ccc(c5c4C2([C@@H]1O5)CCN3CC6CC6)O)O)/[C@H]7CC[C@@H]8[C@@]7(CC[C@H]9[C@H]8CC=C1[C@@]9(CC[C@@H](C1)O)C)C