Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate)

CAS Registry Number®

13117-60-7

CAS Name

Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate)

Molecular Formula

C14H18N5O7P

Molecular Mass

399.30

Cite this Page

Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13117-60-7 (retrieved 2024-11-22) (CAS RN: 13117-60-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18N5O7P/c1-2-3-8(20)18-12-9-13(16-5-15-12)19(6-17-9)14-10(21)11-7(25-14)4-24-27(22,23)26-11/h5-7,10-11,14,21H,2-4H2,1H3,(H,22,23)(H,15,16,18,20)/t7-,10-,11-,14-/m1/s1

InChIKey

InChIKey=NVGDLMUKSMHEQT-FRJWGUMJSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(CCC)=O)N=CN3)O[C@]4([C@]1(OP(=O)(O)OC4)[H])[H]

Canonical SMILES

O=C(NC1=NC=NC2=C1N=CN2C3OC4COP(=O)(O)OC4C3O)CCC

Other Names for this Substance

  • Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate)
  • Butyramide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-, cyclic hydrogen phosphate
  • 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin, adenosine deriv.
  • N6-Butyryl-3′,5′-cyclic AMP
  • N6-Monobutyryl 3′,5′-cyclic AMP

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Deleted or Replaced CAS Registry Numbers

29117-37-1, 32266-36-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration