Theofibrate

CAS Registry Number®

54504-70-0

CAS Name

Theofibrate

Molecular Formula

C19H21ClN4O5

Molecular Mass

420.85

Cite this Page

Theofibrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54504-70-0 (retrieved 2024-11-28) (CAS RN: 54504-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-135 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3

InChIKey

InChIKey=KYAKGJDISSNVPZ-UHFFFAOYSA-N

SMILES

C(COC(C(OC1=CC=C(Cl)C=C1)(C)C)=O)N2C3=C(N=C2)N(C)C(=O)N(C)C3=O

Canonical SMILES

O=C(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(OC3=CC=C(Cl)C=C3)(C)C

Other Names for this Substance

  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester
  • ML 1024
  • Etofylline clofibrate
  • Duolip
  • Theofibrate

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