Substance Name: IPI-493
RN: 64202-81-9
InChIKey: XYFFWTYOFPSZRM-VYYAXVFUSA-N

Molecular Formula

  • C28-H39-N3-O8

Molecular Weight

  • 545.6291
2D chemical structure of 64202-81-9
 

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Names and Synonyms

Name of Substance

  • IPI-493

Synonyms

  • 17-Aminodemethoxygeldanamycin
  • 17-Aminogeldanamycin
  • IPI 493
  • IPI-493
  • NSC 255109
  • UNII-SLQ1AJG3VB

Systematic Names

  • 2-Azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaene-3,20,22-trione, 19-amino-9-((aminocarbonyl)oxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13S,14R,16R)-
  • Geldanamycin, 17-amino-17-demethoxy-

Registry Numbers

CAS Registry Number

  • 64202-81-9

Other Registry Numbers

  • 1174669-94-3
  • 949449-23-4

System Generated Number

  • 0064202819

Structure Descriptors

InChI

1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,33H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7-,15-8+,17-12+/t14?,16-,21-,22-,24+,26-/m1/s1

InChIKey

XYFFWTYOFPSZRM-VYYAXVFUSA-N

Smiles

C=12C(C(NC(C(=CC=C[C@@H](OC)[C@@H](C(=C[C@H]([C@@H]([C@@H](C[C@@H](C2)C)OC)O)C)C)OC(=O)N)C)=O)=CC(C1N)=O)=O