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Substance Name: Mdl 27210
RN: 111581-94-3
UNII: W3H343W01N
InChIKey: DWLMFLPIKHXXIA-XQUALCHDSA-N

Note

  • Metabolite of MDL 27088.

Molecular Formula

  • C27-H32-N2-O5

Molecular Weight

  • 464.559
 
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Names and Synonyms

Name of Substance

  • Mdl 27210

Synonyms

  • 7-(Ethoxycarbonyl-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1-a)(2)benzazepine-4-carboxylic acid
  • Mdl-27210
  • UNII-W3H343W01N

Systematic Name

  • Pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4S-(4alpha,7alpha(R*),12bbeta))-

Registry Numbers

CAS Registry Number

  • 111581-94-3

FDA UNII

  • W3H343W01N

System Generated Number

  • 0111581943

Structure Descriptors

InChI

1S/C27H32N2O5/c1-2-34-27(33)21(16-15-18-9-4-3-5-10-18)28-22-17-19-11-6-7-12-20(19)23-13-8-14-24(26(31)32)29(23)25(22)30/h3-7,9-12,21-24,28H,2,8,13-17H2,1H3,(H,31,32)/t21-,22-,23+,24-/m0/s1

InChIKey

DWLMFLPIKHXXIA-XQUALCHDSA-N

Smiles

N12C([C@H](Cc3c([C@H]1CCC[C@H]2C(=O)O)cccc3)N[C@@H](CCc1ccccc1)C(=O)OCC)=O