β-Funaltrexamine

CAS Registry Number®

72782-05-9

CAS Name

β-Funaltrexamine

Molecular Formula

C25H30N2O6

Molecular Mass

454.52

Cite this Page

β-Funaltrexamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72782-05-9 (retrieved 2024-11-22) (CAS RN: 72782-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=PQKHESYTSKMWFP-WZJCLRDWSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3([C@H](NC(/C=C/C(OC)=O)=O)CC1)[H])=C(O)C=CC5C[C@]2(N(CC6CC6)CC4)[H]

Canonical SMILES

O=C(OC)C=CC(=O)NC1CCC2(O)C3N(CCC42C5=C(OC14)C(O)=CC=C5C3)CC6CC6

Other Names for this Substance

  • 2-Butenoic acid, 4-[[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-, methyl ester, (2E)-
  • 2-Butenoic acid, 4-[[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-, methyl ester, (E)-
  • Morphinan, 2-butenoic acid deriv.
  • β-Naltrexamine N-(methyl fumarate)
  • β-FNA

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Deleted or Replaced CAS Registry Numbers

83339-81-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration