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Substance Name: beta-Funaltrexamine
RN: 72782-05-9
InChIKey: PQKHESYTSKMWFP-WZJCLRDWSA-N

Classification Codes

  • Alkylating Agents
  • Central Nervous System Agents
  • Narcotic Antagonists
  • Noxae
  • Peripheral Nervous System Agents
  • Sensory System Agents

Molecular Formula

  • C25-H30-N2-O6

Molecular Weight

  • 454.52
 
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Names and Synonyms

Name of Substance

  • beta-Funaltrexamine

Synonyms

  • beta-Fna
  • beta-Funaltrexamine
  • Naltrexone fumarate methyl ester

Systematic Name

  • 2-Butenoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 72782-05-9

System Generated Number

  • 0072782059

Structure Descriptors

InChI

1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1

InChIKey

PQKHESYTSKMWFP-WZJCLRDWSA-N

Smiles

c1c2C[C@H]3[N@](CC[C@@]45c2c(c(c1)O)O[C@H]5[C@H](NC(\C=C\C(OC)=O)=O)CC[C@@]34O)CC1CC1