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Substance Name: Mdl 27467A
RN: 111581-91-0
InChIKey: URWBECZAEJDEIE-SSXGUZIESA-N

Molecular Weight

  • 630.7808
 
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Names and Synonyms

Name of Substance

  • Mdl 27467A

Synonyms

  • 7-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-1,2,3,4,6,7,12a,12b-octahydro-6-oxopyrido(2,1-a)(2)benzazepine-4-carboxylic acid diphenylmethyl ester
  • Mdl-27,467A

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-, diphenylmethyl ester, (4S-(4alpha,7alpha(R*),12bbeta))-

Registry Numbers

CAS Registry Number

  • 111581-91-0

System Generated Number

  • 0111581910

Structure Descriptors

InChI

1S/C40H42N2O5/c1-2-46-39(44)33(26-25-28-15-6-3-7-16-28)41-34-27-31-21-12-13-22-32(31)35-23-14-24-36(42(35)38(34)43)40(45)47-37(29-17-8-4-9-18-29)30-19-10-5-11-20-30/h3-13,15-22,33-37,41H,2,14,23-27H2,1H3/t33?,34-,35+,36-/m0/s1

InChIKey

URWBECZAEJDEIE-SSXGUZIESA-N

Smiles

CCOC(=O)C(CCc1ccccc1)N[C@H]2Cc3ccccc3[C@H]4CCC[C@H](N4C2=O)C(=O)OC(c5ccccc5)c6ccccc6