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Substance Name: Methylnaltrexone bromide [USAN:INN:BAN]
RN: 916055-92-0
UNII: RFO6IL3D3M
InChIKey: IFGIYSGOEZJNBE-NQMNLMSRSA-N

Classification Code

  • Narcotic Antagonists

Molecular Formula

  • C21-H26-Br-N-O4

Molecular Weight

  • 436.3434
 
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Names and Synonyms

Name of Substance

  • Methylnaltrexone bromide [USAN:INN:BAN]

Synonyms

  • (17R)-Methylnaltrexone bromide
  • (R)-N-Methylnaltrexone bromide
  • (R)-Naltrexone methobromide
  • (R)-Naltrexone methylbromide
  • Naltrexone (R)-methobromide
  • UNII-RFO6IL3D3M

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 916055-92-0

FDA UNII

  • RFO6IL3D3M

Other Registry Numbers

  • 1055877-28-5
  • 1378943-67-9

System Generated Number

  • 0916055920

Structure Descriptors

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