7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

CAS Registry Number®

13460-98-5

CAS Name

7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Molecular Formula

C17H21N5O5

Molecular Mass

375.38

Cite this Page

7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13460-98-5 (retrieved 2024-11-22) (CAS RN: 13460-98-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3

InChIKey

InChIKey=WMCMJIGLYZDKRN-UHFFFAOYSA-N

SMILES

C(CNCC(O)C1=CC(O)=C(O)C=C1)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Canonical SMILES

O=C1C2=C(N=CN2CCNCC(O)C3=CC=C(O)C(O)=C3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-[2-[(β,3,4-trihydroxyphenethyl)amino]ethyl]-
  • 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • Theodrenaline
  • (±)-Theodrenaline