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Substance Name: N-Methylnaltrindole hydrochloride
RN: 111469-85-3
UNII: 8QDL68Z0IR
InChIKey: ZSYCGYUGBMEGCK-ZHXLFDHXSA-N

Molecular Formula

  • C27-H28-N2-O3.Cl-H

Molecular Weight

  • 464.9901
 
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Names and Synonyms

Name of Substance

  • N-Methylnaltrindole hydrochloride

Synonyms

  • 4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-14-methyl-, hydrochloride (1:1), (4bS,8R,8aS,14bR)-
  • N-Methylnaltrindole hydrochloride
  • UNII-8QDL68Z0IR

Registry Numbers

CAS Registry Number

  • 111469-85-3

FDA UNII

  • 8QDL68Z0IR

System Generated Number

  • 0111469853

Structure Descriptors

InChI

1S/C27H28N2O3.ClH/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15;/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3;1H/t21-,25+,26+,27-;/m1./s1

InChIKey

ZSYCGYUGBMEGCK-ZHXLFDHXSA-N

Smiles

Cn1c2ccccc2c3c1[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8.Cl