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Substance Name: Methylnaltrexone bromide, (17S)-
RN: 916045-21-1
UNII: CDW853B60I
InChIKey: IFGIYSGOEZJNBE-LHJYHSJWSA-N

Molecular Formula

  • C21-H26-N-O4.Br

Molecular Weight

  • 436.3434
 
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Names and Synonyms

Name of Substance

  • Methylnaltrexone bromide, (17S)-

Synonyms

  • (17S)-N-Methylnaltrexone bromide
  • (S)-Naltrexone methobromide
  • Methylnaltrexone bromide, (17S)-
  • Morphinan-17-ium-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-, bromide, (5alpha,17S)-
  • Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,9-dihydroxy-17-methyl-6-oxo-, bromide (1:1), (17S)-
  • Naltrexone (S)-methobromide
  • UNII-CDW853B60I

Registry Numbers

CAS Registry Number

  • 916045-21-1

FDA UNII

  • CDW853B60I

System Generated Number

  • 0916045211

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-LHJYHSJWSA-N

Smiles

C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)CC6CC6.[Br-]