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Substance Name: Hidrosmin
RN: 115960-14-0
UNII: 4I5K8199OQ
InChIKey: XYFLWVOTXWXNAM-WTNNCJBMSA-N

Note

  • A benzopyrone derivative; water-soluble flavonoid.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H36-O16

Molecular Weight

  • 652.5984
 
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Names and Synonyms

Name of Substance

  • Hidrosmin

Synonyms

  • F 117
  • Hidrosmin
  • O-(beta-Hydroxyethyl)diosmin
  • UNII-4I5K8199OQ
  • Venosmil

Systematic Name

  • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 115960-14-0

FDA UNII

  • 4I5K8199OQ

System Generated Number

  • 0115960140

Structure Descriptors

InChI

1S/C30H36O16/c1-12-23(34)25(36)27(38)29(43-12)42-11-21-24(35)26(37)28(39)30(46-21)44-14-8-19(41-6-5-31)22-16(33)10-18(45-20(22)9-14)13-3-4-17(40-2)15(32)7-13/h3-4,7-10,12,21,23-32,34-39H,5-6,11H2,1-2H3/t12-,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1

InChIKey

XYFLWVOTXWXNAM-WTNNCJBMSA-N

Smiles

COc1ccc(cc1O)C2=CC(=O)c3c(OCCO)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.
mouse LD50 intravenous > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.
rat LD50 intravenous > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 12, Pg. 1015, 1987.