7-Benzylidenenaltrexone

CAS Registry Number®

129468-28-6

CAS Name

7-Benzylidenenaltrexone

Molecular Formula

C27H27NO4

Molecular Mass

429.51

Cite this Page

7-Benzylidenenaltrexone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129468-28-6 (retrieved 2024-11-22) (CAS RN: 129468-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/t21-,25+,26+,27-/m1/s1

InChIKey

InChIKey=WXOUFNFMPVMGFZ-NVSKSXHLSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3(C(=O)C(=CC6=CC=CC=C6)C1)[H])=C(O)C=CC5C[C@]2(N(CC7CC7)CC4)[H]

Canonical SMILES

O=C1C(=CC=2C=CC=CC2)CC3(O)C4N(CCC53C6=C(OC15)C(O)=CC=C6C4)CC7CC7

Other Names for this Substance

  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5α)-
  • (5α)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)morphinan-6-one
  • 7-Benzylidenenaltrexone

CAS INSIGHTSTM
Targeted protein degrader structure, illustration