Inosine, 6-thio-, 2′,3′,5′-triacetate

CAS Registry Number®

3021-21-4

CAS Name

Inosine, 6-thio-, 2′,3′,5′-triacetate

Molecular Formula

C16H18N4O7S

Molecular Mass

410.40

Cite this Page

Inosine, 6-thio-, 2′,3′,5′-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3021-21-4 (retrieved 2024-11-22) (CAS RN: 3021-21-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-216 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)/t10-,12-,13-,16-/m1/s1

InChIKey

InChIKey=MENHRYRSGYYUJA-XNIJJKJLSA-N

SMILES

O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C3=C(N=C2)C(=S)N=CN3

Canonical SMILES

O=C(OCC1OC(N2C=NC=3C(=S)N=CNC32)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • Inosine, 6-thio-, 2′,3′,5′-triacetate
  • 9H-Purine-6-thiol, 9-β-D-ribofuranosyl-, 2′,3′,5′-triacetate
  • NSC 66385
  • 6-Thioinosine 2′,3′,5′-triacetate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration