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Substance Name: Methylnaltrexone bromide [USAN:INN:BAN]
RN: 73232-52-7
InChIKey: IFGIYSGOEZJNBE-NQMNLMSRSA-N

Classification Code

  • Treatment of Peripheral Side Effects of Opioid Therapy

Molecular Formula

  • C21-H26-N-O4.Br

Molecular Weight

  • 436.3434
 
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Names and Synonyms

Name of Substance

  • Methylnaltrexone bromide [USAN:INN:BAN]

Synonyms

  • (17RS)-17-(Cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-17-methyl-6- oxomorphinanium bromide
  • Methylnaltrexone bromide
  • MOA 728
  • MOA-728
  • MRZ 2663BR
  • Naltrexone methobromide
  • Relistor

Systematic Name

  • Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-, bromide, (5alpha)-

Registry Numbers

CAS Registry Number

  • 73232-52-7

System Generated Number

  • 0073232527

Molecular Formulas

Molecular Formula

  • C21-H26-N-O4.Br

Molecular Formula Fragments

  • Br
  • C21-H26-N-O4
  • COMPONENT

Structure Descriptors

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

IFGIYSGOEZJNBE-NQMNLMSRSA-N

Smiles

[Br-].C[N@+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CCC5=O)c46