Diquafosol

CAS Registry Number®

59985-21-6

CAS Name

Diquafosol

Molecular Formula

C18H26N4O23P4

Molecular Mass

790.31

Cite this Page

Diquafosol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59985-21-6 (retrieved 2024-11-22) (CAS RN: 59985-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1

InChIKey

InChIKey=NMLMACJWHPHKGR-NCOIDOBVSA-N

SMILES

O[C@H]1[C@@H](O[C@H](COP(OP(OP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C(=O)NC(=O)C=C3)(=O)O)(=O)O)(=O)O)(=O)O)[C@H]1O)N4C(=O)NC(=O)C=C4

Canonical SMILES

O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N4C=CC(=O)NC4=O)C(O)C3O)C(O)C2O

Other Names for this Substance

  • Uridine 5′-(pentahydrogen tetraphosphate), P′′′→5′-ester with uridine
  • P1,P4-Diuridine 5′-tetraphosphate
  • Diquafosol

CAS INSIGHTSTM
Targeted protein degrader structure, illustration