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Substance Name: Grisabutine
RN: 6859-66-1
UNII: 850A38GCSI
InChIKey: FDABVSXGAMFQQH-IHLOFXLRSA-N

Molecular Formula

  • C36-H40-N2-O6

Molecular Weight

  • 596.72
 
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Names and Synonyms

Name of Substance

  • Grisabutine

Synonym

  • UNII-850A38GCSI

Registry Numbers

CAS Registry Number

  • 6859-66-1

FDA UNII

  • 850A38GCSI

System Generated Number

  • 0006859661

Structure Descriptors

InChI

1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m1/s1

InChIKey

FDABVSXGAMFQQH-IHLOFXLRSA-N

Smiles

CN1CCc2cc(c(cc2[C@H]1Cc3ccc(cc3)Oc4cc(ccc4O)C[C@H]5c6cc(c(cc6CCN5C)OC)O)O)OC