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Substance Name: Methylnaltrexone, (17S)-
RN: 916045-22-2
UNII: 72Q1QQ555V
InChIKey: JVLBPIPGETUEET-UGTAXJHQSA-O

Molecular Formula

  • C21-H26-N-O4

Molecular Weight

  • 356.4394
 
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Names and Synonyms

Name of Substance

  • Methylnaltrexone, (17S)-

Synonyms

  • Methylnaltrexone cation, (17S)-
  • Methylnaltrexone ion, (17S)-
  • Methylnaltrexone, (17S)-
  • Morphinan-17-ium-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-, (5alpha,17S)-
  • Morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,9-dihydroxy-17-methyl-6-oxo-, (17S)-
  • UNII-72Q1QQ555V

Registry Numbers

CAS Registry Number

  • 916045-22-2

FDA UNII

  • 72Q1QQ555V

Other Registry Numbers

  • 1056148-58-3
  • 1357345-99-3

System Generated Number

  • 0916045222

Structure Descriptors

InChI

1S/C21H25NO4/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/p+1/t16-,19+,20+,21-,22+/m1/s1

InChIKey

JVLBPIPGETUEET-UGTAXJHQSA-O

Smiles

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