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Substance Name: 2,2'-Bis(6-deoxo-6-methylenenaltrexone)
RN: 176220-84-1
InChIKey: DEKUTJDLMXTWRE-CVQRZJKKSA-N

Molecular Formula

  • C42-H48-N2-O6

Molecular Weight

  • 676.849
 
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Names and Synonyms

Results Name

  • 2,2'-Bis(6-deoxo-6-methylenenaltrexone)

Synonyms

  • 2,2'-Bis(6-deoxo-6-methylenenaltrexone)
  • 2,2'-Bisnalmefene

Systematic Name

  • (2,2'-Bimorphinan)-3,3',14,14'-tetrol, 17,17'-bis(cyclopropylmethyl)-4,5:4',5'-diepoxy-6,6'-bis(methylene)-, (5alpha)-(5'alpha)-

Registry Numbers

CAS Registry Number

  • 176220-84-1

System Generated Number

  • 0176220841

Structure Descriptors

InChI

1S/C42H48N2O6/c1-21-7-9-41(47)29-17-25-15-27(33(45)35-31(25)39(41,37(21)49-35)11-13-43(29)19-23-3-4-23)28-16-26-18-30-42(48)10-8-22(2)38-40(42,32(26)36(50-38)34(28)46)12-14-44(30)20-24-5-6-24/h15-16,23-24,29-30,37-38,45-48H,1-14,17-20H2/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1

InChIKey

DEKUTJDLMXTWRE-CVQRZJKKSA-N

Smiles

c1c2C[C@@H]3[C@@]4([C@@]5([C@@H](Oc(c(c1c1cc6c7[C@]89[C@@]([C@@H](C6)[N@](CC9)CC6CC6)(CCC([C@@H]8Oc7c1O)=C)O)O)c25)C(=C)CC4)CC[N@@]3CC1CC1)O