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Substance Name: Theophylline, 8-chloro-7-(3-hydroxybutyl)-
RN: 21622-65-1
InChIKey: BTURTIRALKUSAI-UHFFFAOYSA-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

  • Theophylline, 8-chloro-7-(3-hydroxybutyl)-

Registry Numbers

CAS Registry Number

  • 21622-65-1

Other Registry Number

  • 112458-72-7

System Generated Number

  • 0021622651

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

InChIKey

BTURTIRALKUSAI-UHFFFAOYSA-N

Smiles

CC(O)CCn1c(Cl)nc2N(C)C(=O)N(C)C(=O)c12