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Substance Name: 4H-1-Benzopyran-4-one, 3-(4-D-glucopyranosylphenyl)-5-hydroxy-7-methoxy-
RN: 102582-41-2
InChIKey: NVDQNVYMFRSNDL-SQGFOMTPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-O9

Molecular Weight

  • 430.4068
 
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Names and Synonyms

Synonym

  • 3-(4-D-Glucopyranosylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-(4-D-glucopyranosylphenyl)-5-hydroxy-7-methoxy-

Registry Numbers

CAS Registry Number

  • 102582-41-2

System Generated Number

  • 0102582412

Structure Descriptors

InChI

1S/C22H22O9/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)22-21(28)20(27)19(26)16(8-23)31-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22?/m1/s1

InChIKey

NVDQNVYMFRSNDL-SQGFOMTPSA-N

Smiles

COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)C4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.