Bamifylline

CAS Registry Number®

2016-63-9

CAS Name

Bamifylline

Molecular Formula

C20H27N5O3

Molecular Mass

385.46

Cite this Page

Bamifylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2016-63-9 (retrieved 2024-11-21) (CAS RN: 2016-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3

InChIKey

InChIKey=VVUYEFBRTFASAH-UHFFFAOYSA-N

SMILES

C(CN(CCO)CC)N1C2=C(N=C1CC3=CC=CC=C3)N(C)C(=O)N(C)C2=O

Canonical SMILES

O=C1C2=C(N=C(N2CCN(CC)CCO)CC=3C=CC=CC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-
  • Theophylline, 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-
  • 7-[2-[Ethyl(2-hydroxyethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione
  • Bamifylline
  • 8′-Benzyl-7-(2-[ethyl(2-hydroxyethyl)amino]ethyl)theophylline

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration