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Methylnaltrexone bromide

CAS Registry Number®

73232-52-7

CAS Name

Methylnaltrexone bromide

Molecular Formula

C21H26NO4.Br

Cite this Page

Methylnaltrexone bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73232-52-7 (retrieved 2024-11-23) (CAS RN: 73232-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1

InChIKey

InChIKey=IFGIYSGOEZJNBE-KNLJMPJLSA-N

SMILES

O[C@]12[C@@]34C=5C(O[C@]3(C(=O)CC1)[H])=C(O)C=CC5C[C@]2([N+](CC6CC6)(C)CC4)[H].[Br-]

Canonical SMILES

[Br-].O=C1CCC2(O)C3CC4=CC=C(O)C=5OC1C2(C54)CC[N+]3(C)CC6CC6

Other Names for this Substance

  • Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-, bromide (1:1), (5α)-
  • Naltrexone methobromide
  • MRZ 2663BR
  • N-Methylnaltrexone bromide
  • Naltrexone methyl bromide

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