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Substance Name: 4-Benzylhydroxybenzoic acid 2-hydroxy-3-(theophylline-7-ol)propyl ester
RN: 82502-10-1
InChIKey: KMRDAVBNQQOIRH-UHFFFAOYSA-N

Molecular Formula

  • C24-H24-N4-O6

Molecular Weight

  • 464.4756
 
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Names and Synonyms

Name of Substance

  • 4-Benzylhydroxybenzoic acid 2-hydroxy-3-(theophylline-7-ol)propyl ester

Synonym

  • Bahtpe

Systematic Name

  • Benzoic acid, 4-(phenylmethoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester

Registry Numbers

CAS Registry Number

  • 82502-10-1

System Generated Number

  • 0082502101

Structure Descriptors

InChI

1S/C24H24N4O6/c1-26-21-20(22(30)27(2)24(26)32)28(15-25-21)12-18(29)14-34-23(31)17-8-10-19(11-9-17)33-13-16-6-4-3-5-7-16/h3-11,15,18,29H,12-14H2,1-2H3

InChIKey

KMRDAVBNQQOIRH-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(COC(=O)c3ccc(cc3)OCc4ccccc4)O