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Substance Name: 3-O-Benzylnaltrexone
RN: 153567-11-4
InChIKey: NIBRTUHQXLSONU-LHIMOPHOSA-N

Note

  • Opioid delta receptor antagonist.

Molecular Formula

  • C27-H29-N-O4

Molecular Weight

  • 431.5291
 
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Names and Synonyms

Results Name

  • 3-O-Benzylnaltrexone

Name of Substance

  • 17-(Cyclopropylmethyl)-7-benzyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one

Synonyms

  • 17-(Cyclopropylmethyl)-4,5alpha-epoxy-14-hydroxy-3-(phenylmethoxy)morphinan-6-one
  • 17-Cpm-nal
  • 3-Benzylnaltrexone
  • 3-O-Benzylnaltrexone

Systematic Name

  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-(phenylmethoxy)-, (5alpha)-

Registry Numbers

CAS Registry Number

  • 153567-11-4

System Generated Number

  • 0153567114

Structure Descriptors

InChI

1S/C27H29NO4/c29-20-10-11-27(30)22-14-19-8-9-21(31-16-18-4-2-1-3-5-18)24-23(19)26(27,25(20)32-24)12-13-28(22)15-17-6-7-17/h1-5,8-9,17,22,25,30H,6-7,10-16H2/t22-,25+,26+,27-/m1/s1

InChIKey

NIBRTUHQXLSONU-LHIMOPHOSA-N

Smiles

c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6(CCC5=O)O)CC7CC7