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Substance Name: beta-Galactosylumbelliferone theophylline
RN: 79181-90-1
InChIKey: PSHIXQHKZSNFIT-XHOFLWIVSA-N

Note

  • Used for fluorescent immunoassay.

Molecular Formula

  • C26-H29-N5-O11

Molecular Weight

  • 587.5391
 
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Names and Synonyms

Name of Substance

  • beta-Galactosylumbelliferone theophylline

Synonym

  • EINECS 279-107-1

Systematic Names

  • 2H-1-Benzopyran-3-carboxamide, 7-(beta-D-galactopyranosyloxy)-2-oxo-N-(3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)propyl)-
  • 7-(beta-D-Galactopyranosyloxy)-2-oxo-N-(3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)propyl)-2H-1-benzopyran-3-carboxamide

Registry Numbers

CAS Registry Number

  • 79181-90-1

System Generated Number

  • 0079181901

Structure Descriptors

InChI

1S/C26H29N5O11/c1-30-21-17(23(37)31(2)26(30)39)28-16(29-21)4-3-7-27-22(36)13-8-11-5-6-12(9-14(11)41-24(13)38)40-25-20(35)19(34)18(33)15(10-32)42-25/h5-6,8-9,15,18-20,25,32-35H,3-4,7,10H2,1-2H3,(H,27,36)(H,28,29)/t15-,18+,19+,20-,25-/m1/s1

InChIKey

PSHIXQHKZSNFIT-XHOFLWIVSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CCCNC(=O)c3cc4ccc(cc4oc3=O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O