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Substance Name: BI-135585 monohydrate
RN: 1374032-89-9
UNII: ZL5CN1S7OC
InChIKey: RYMUARXBHUNLAU-DZGIFAGBSA-N

Molecular Formula

  • C28-H32-N2-O4.H2-O

Molecular Weight

  • 478.5856
 
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Names and Synonyms

Name of Substance

  • BI-135585 monohydrate

Synonyms

  • BI-135585 hydrate
  • UNII-ZL5CN1S7OC
  • UNII-ZL5CN1S7OC

Registry Numbers

CAS Registry Number

  • 1374032-89-9

FDA UNII

  • ZL5CN1S7OC

System Generated Number

  • 1374032899

Structure Descriptors

InChI

1S/C28H32N2O4.H2O/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24;/h5-14,16,18,20,33H,15,17,19H2,1-4H3;1H2/t20-,28-;/m0./s1

InChIKey

RYMUARXBHUNLAU-DZGIFAGBSA-N

Smiles

O.C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c2ccccc2)c3ccc(cc3)C4=CC(=O)N(C)C=C4