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Substance Name: Patidegib [USAN:INN]
RN: 1037210-93-7
UNII: JT96FPU35X
InChIKey: LICVMCOINZNZNW-BATHLIJTSA-N

Notes

  • A semisynthetic derivative of cyclopamine that is a smoothened inhibitor with antineoplastic activity.
  • A semisynthetic derivative of cyclopamine.

Molecular Formula

  • C29-H48-N2-O3-S

Molecular Weight

  • 541.2361
 
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Names and Synonyms

Name of Substance

  • Patidegib [USAN:INN]

Synonyms

  • IPI 926
  • IPI-926
  • Patidegib
  • Saridegib
  • Saridegib [Rescinded USAN]
  • UNII-JT96FPU35X

Systematic Name

  • Methanesulfonamide, N-((2S,3R,3'R,3aS,4'aR,6S,6'aR,6'bS,7aR,12'aS,12'bS)- 2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethylspiro(furo(3,2-b)pyridine-2(3H),9'(1'H)-naphth(2,1-a)azulen)-3'-yl)-

Registry Numbers

CAS Registry Number

  • 1037210-93-7

FDA UNII

  • JT96FPU35X

System Generated Number

  • 1037210937

Structure Descriptors

InChI

1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1

InChIKey

LICVMCOINZNZNW-BATHLIJTSA-N

Smiles

Cl.C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](CC[C@]6(C)[C@H]5CC4=C(C)C3)NS(=O)(=O)C)[C@@H]2C