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Substance Name: Ro 31-2201
RN: 88851-65-4
UNII: 931EL1054M
InChIKey: FMJAOLLMTCVYNI-JYJNAYRXSA-N

Molecular Weight

  • 403.432
 
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Names and Synonyms

Name of Substance

  • Ro 31-2201

Synonyms

  • Ro-31-2201
  • UNII-931EL1054M

Systematic Name

  • 6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-((1-carboxy-3-phenylpropyl)amino)octahydro-6,10-dioxo-, (1S-(1alpha,9alpha(R*)))-

Registry Numbers

CAS Registry Number

  • 88851-65-4

FDA UNII

  • 931EL1054M

System Generated Number

  • 0088851654

Structure Descriptors

InChI

1S/C20H25N3O6/c24-17-11-10-14(18(25)23-16(20(28)29)7-4-12-22(17)23)21-15(19(26)27)9-8-13-5-2-1-3-6-13/h1-3,5-6,14-16,21H,4,7-12H2,(H,26,27)(H,28,29)/t14-,15-,16-/m0/s1

InChIKey

FMJAOLLMTCVYNI-JYJNAYRXSA-N

Smiles

N12N(C([C@H](CCC1=O)N[C@@H](CCc1ccccc1)C(=O)O)=O)[C@@H](CCC2)C(=O)O