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Substance Name: Mdl 27088
RN: 111581-85-2
InChIKey: MFPBDCIKVMSRDU-KJJMTIBFSA-N

Molecular Weight

  • 436.505
 
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Names and Synonyms

Name of Substance

  • Mdl 27088

Synonyms

  • 7-(1-Carboxy-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1a)-2-benzazepine-4-carboxylic acid
  • Mdl-27,088

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111581-85-2

System Generated Number

  • 0111581852

Structure Descriptors

InChI

1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1-3-8-16)15-17-9-4-5-10-18(17)21-11-6-12-22(25(31)32)27(21)23/h1-5,7-10,19-22,26H,6,11-15H2,(H,29,30)(H,31,32)/t19-,20-,21+,22-/m0/s1

InChIKey

MFPBDCIKVMSRDU-KJJMTIBFSA-N

Smiles

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