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Substance Name: Nepitrin
RN: 569-90-4
UNII: S9ZMJ20NUO
InChIKey: DMXHXBGUNHLMQO-IWLDQSELSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-O12

Molecular Weight

  • 478.404
 
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Names and Synonyms

Name of Substance

  • Nepitrin

Synonyms

  • 3',4',5-Trihydroxy-6-methoxy-7-(glucosyloxy)flavone
  • 5,3,4-Trihydroxy-6-methoxyflavonoid
  • 6-Methoxyluteolin 7-glucoside
  • Eupatolin 7-glucoside
  • Nepetin 7-glucoside
  • Nepitrin
  • UNII-S9ZMJ20NUO

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-

Registry Numbers

CAS Registry Number

  • 569-90-4

FDA UNII

  • S9ZMJ20NUO

System Generated Number

  • 0000569904

Structure Descriptors

InChI

InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1

InChIKey

DMXHXBGUNHLMQO-IWLDQSELSA-N

Smiles

COc1c(O)c2C(=O)C=C(Oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)c(O)c4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 794mg/kg (794mg/kg)   Toxicon. Vol. 19, Pg. 201, 1981.