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Substance Name: 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-7-(3-hydroxybutyl)-1,3-dimethyl-, (R)-
RN: 112425-58-8
InChIKey: BTURTIRALKUSAI-ZCFIWIBFSA-N

Molecular Formula

  • C11-H15-Cl-N4-O3

Molecular Weight

  • 286.7175
 
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Names and Synonyms

Synonym

  • 8-Chloro-7-(3-hydroxybutyl)theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-7-(3-hydroxybutyl)-1,3-dimethyl-, (R)-

Registry Numbers

CAS Registry Number

  • 112425-58-8

System Generated Number

  • 0112425588

Structure Descriptors

InChI

1S/C11H15ClN4O3/c1-6(17)4-5-16-7-8(13-10(16)12)14(2)11(19)15(3)9(7)18/h6,17H,4-5H2,1-3H3/t6-/m1/s1

InChIKey

BTURTIRALKUSAI-ZCFIWIBFSA-N

Smiles

C[C@@H](O)CCn1c(Cl)nc2N(C)C(=O)N(C)C(=O)c12