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Substance Name: Mdl 100173
RN: 142695-09-8
InChIKey: RIWRWPXUDHZKIO-WOZUAGRISA-N

Note

  • (S)-isomer is MDL 100173; (R)-isomer is MDL 101628.

Molecular Formula

  • C24-H26-N2-O4-S

Molecular Weight

  • 438.545
 
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Names and Synonyms

Name of Substance

  • Mdl 100173

Synonyms

  • (4S-(4alpha,7alpha(R*),12bbeta))-1,2,3,4,6,7,8,12b-Octahydro-7-((2-mercapto-1-oxo-3-phenylpropyl)amino)-6-oxopyrido(2,1-a)(2)benzazepine-4-carboxylic acid
  • Mdl 100,173
  • Mdl 101,628

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142695-09-8

System Generated Number

  • 0142695098

Structure Descriptors

InChI

1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19+,20-,21-/m0/s1

InChIKey

RIWRWPXUDHZKIO-WOZUAGRISA-N

Smiles

N12C([C@H](Cc3c([C@H]1CCC[C@H]2C(=O)O)cccc3)NC([C@H](Cc1ccccc1)S)=O)=O