Protheobromine

CAS Registry Number®

50-39-5
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CAS Name

Protheobromine

Molecular Formula

C10H14N4O3

Molecular Mass

238.24

Cite this Page

Protheobromine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50-39-5 (retrieved 2024-05-12) (CAS RN: 50-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    141 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3

InChIKey

InChIKey=MXRGZXBFSKSZPH-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CC(C)O)N=CN2C

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1CC(O)C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-
  • Theobromine, 1-(2-hydroxypropyl)-
  • 3,7-Dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione
  • Cordabromin
  • Cordaleromin

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