1H-Purine-2,6-dione, 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

CAS Registry Number®

13055-82-8

CAS Name

1H-Purine-2,6-dione, 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)

Molecular Formula

C18H23N5O5.ClH

Cite this Page

1H-Purine-2,6-dione, 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62932-27-8 (retrieved 2024-11-22) (CAS RN: 13055-82-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    249-250 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H

InChIKey

InChIKey=XSFWDHONRBZVEJ-UHFFFAOYSA-N

SMILES

C(CCNCC(O)C1=CC(O)=CC(O)=C1)N2C3=C(N(C)C(=O)N(C)C3=O)N=C2.Cl

Canonical SMILES

Cl.O=C1C2=C(N=CN2CCCNCC(O)C=3C=C(O)C=C(O)C3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-, hydrochloride (1:1)
  • Theophylline, 7-[3-[(β,3,5-trihydroxyphenethyl)amino]propyl]-, hydrochloride
  • 1H-Purine-2,6-dione, 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-, monohydrochloride
  • Theophylline, 7-[3-[(β,3,5-trihydroxyphenethyl)amino]propyl]-, monohydrochloride
  • Bronchospasmin

View All

Deleted or Replaced CAS Registry Numbers

62932-27-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration