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Substance Name: ABT-925 anhydrous
RN: 220519-07-3
UNII: DMH23OL273
InChIKey: KQMGYGQUUXCWBL-WLHGVMLRSA-N

Molecular Formula

  • C20-H27-F3-N6-O-S.C4-H4-O4.

Molecular Weight

  • 572.6059
 
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Names and Synonyms

Name of Substance

  • ABT-925 anhydrous

Synonyms

  • 4(1H)-Pyrimidinone, 2-((3-(4-(2-(1,1-dimethylethyl)-6-(trifluoromethyl)-4-pyrimidinyl)-1-piperazinyl)propyl)thio)-, (2E)-2-butenedioate (1:1)
  • 4(1H)-Pyrimidinone, 2-((3-(4-(2-(1,1-dimethylethyl)-6-(trifluoromethyl)-4-pyrimidinyl)-1-piperazinyl)propyl)thio)-, fumarate
  • UNII-DMH23OL273

Registry Numbers

CAS Registry Number

  • 220519-07-3

FDA UNII

  • DMH23OL273

System Generated Number

  • 0220519073

Structure Descriptors

InChI

1S/C20H27F3N6OS.C4H4O4/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18;5-3(6)1-2-4(7)8/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KQMGYGQUUXCWBL-WLHGVMLRSA-N

Smiles

CC(C)(C)c1nc(cc(n1)N2CCN(CC2)CCCSc3[nH]c(=O)ccn3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O