Thio-ITP

CAS Registry Number®

27652-34-2

CAS Name

Thio-ITP

Molecular Formula

C10H15N4O13P3S

Molecular Mass

524.23

Cite this Page

Thio-ITP.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27652-34-2 (retrieved 2024-11-22) (CAS RN: 27652-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1

InChIKey

InChIKey=GQNRDWAOABGWGP-KQYNXXCUSA-N

SMILES

O[C@H]1[C@H](N2C3=C(N=C2)C(=S)N=CN3)O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@H]1O

Canonical SMILES

O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=S)N=CNC32)C(O)C1O

Other Names for this Substance

  • Inosine 5′-(tetrahydrogen triphosphate), 6-thio-
  • 9H-Purine-6(1H)-thione, 9-β-D-ribofuranosyl-, 5′-(tetrahydrogen triphosphate)
  • 9H-Purine-6-thiol, 9-β-D-ribofuranosyl-, 5′-triphosphate
  • 6-Thioinosine 5′-(tetrahydrogen triphosphate)
  • 6-Mercapto-9-β-D-ribofuranosylpurine 5′-triphosphate

View All

Deleted or Replaced CAS Registry Numbers

17781-33-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration