3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)

CAS Registry Number®

10058-07-8
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CAS Name

3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)

Molecular Formula

C15H18N6O2.C6H5NO2

Cite this Page

3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10058-07-8 (retrieved 2024-05-06) (CAS RN: 10058-07-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-160 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C15H18N6O2.C6H5NO2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11;8-6(9)5-2-1-3-7-4-5/h3-5,8,10,17H,6-7,9H2,1-2H3;1-4H,(H,8,9)

InChIKey

InChIKey=DOWFKBHYDXGGML-UHFFFAOYSA-N

SMILES

C(CNCC=1C=CC=NC1)N2C3=C(N(C)C(=O)N(C)C3=O)N=C2.C(O)(=O)C=1C=CC=NC1

Canonical SMILES

O=C(O)C=1C=NC=CC1.O=C1C2=C(N=CN2CCNCC=3C=NC=CC3)N(C(=O)N1C)C

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-1H-purine-2,6-dione (1:1)
  • Nicotinic acid, compd. with 7-[2-[(3-pyridylmethyl)amino]ethyl]theophylline (1:1)
  • Nicotinic acid, compd. with 7-[2-[(3-pyridylmethyl)amino]ethyl]theophylline
  • Theophylline, 7-[2-[(3-pyridylmethyl)amino]ethyl]-, nicotinate
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[2-[(3-pyridinylmethyl)amino]ethyl]-, mono-3-pyridinecarboxylate

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