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Substance Name: Pinometostat trihydrate
RN: 1628338-78-2
UNII: RHP89XVN70
InChIKey: UQPFPXXVGVCSCX-MIFIOKNMSA-N

Molecular Formula

  • C30-H42-N8-O3.3H2-O

Molecular Weight

  • 616.7592
 
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Names and Synonyms

Name of Substance

  • Pinometostat trihydrate

Synonyms

  • Adenosine, 5'-deoxy-5'-((cis-3-(2-(6-(1,1-dimethylethyl)-1H-benzimidazol-2-yl)ethyl)cyclobutyl)(1-methylethyl)amino)-, hydrate (1:3)
  • Pinometostat trihydrate
  • UNII-RHP89XVN70

Registry Numbers

CAS Registry Number

  • 1628338-78-2

FDA UNII

  • RHP89XVN70

System Generated Number

  • 1628338782

Structure Descriptors

InChI

1S/C30H42N8O3.3H2O/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23;;;/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33);3*1H2/t17-,19+,22-,25-,26-,29-;;;/m1.../s1

InChIKey

UQPFPXXVGVCSCX-MIFIOKNMSA-N

Smiles

CC(N([C@H]1C[C@H](C1)CCc2nc3c([nH]2)ccc(c3)C(C)(C)C)C[C@H]4O[C@H]([C@@H]([C@@H]4O)O)n5c6ncnc(c6nc5)N)C.O.O.O