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Substance Name: 1-(beta,gamma-Epoxypropyl)-8-bromotheobromine
RN: 16877-94-4
InChIKey: DERCBYABBPFWFG-UHFFFAOYSA-N

Molecular Weight

  • 315.126
 
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Names and Synonyms

Name of Substance

  • 1-(beta,gamma-Epoxypropyl)-8-bromotheobromine

Systematic Name

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3,7-dimethyl-1-(oxiranylmethyl)-

Registry Numbers

CAS Registry Number

  • 16877-94-4

System Generated Number

  • 0016877944

Structure Descriptors

InChI

1S/C10H11BrN4O3/c1-13-6-7(12-9(13)11)14(2)10(17)15(8(6)16)3-5-4-18-5/h5H,3-4H2,1-2H3

InChIKey

DERCBYABBPFWFG-UHFFFAOYSA-N

Smiles

n1(c(nc2n(c(n(c(c12)=O)C[C@@H]1OC1)=O)C)Br)C