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Substance Name: Equisetin
RN: 57749-43-6
InChIKey: QNQBPPQLRODXET-AIMHRHHOSA-N

Note

  • Antibiotic from Fusarium equiseti; derivative of N-methyl-2,4-pyrollidone with elemental composition C22-H31-N-O4.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C22-H31-N-O4

Molecular Weight

  • 373.49
 
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Names and Synonyms

Name of Substance

  • Equisetin

Synonym

  • (-)-Equisetin

Systematic Name

  • Equisetin

Registry Numbers

CAS Registry Number

  • 57749-43-6

System Generated Number

  • 0057749436

Structure Descriptors

InChI

1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18+/t13-,14-,15-,16-,17+,22-/m1/s1

InChIKey

QNQBPPQLRODXET-AIMHRHHOSA-N

Smiles

C1(\C(N(C)[C@H](C1=O)CO)=O)=C(/[C@@]1([C@H]2[C@@H](C[C@@H](CC2)C)C=C[C@H]1\C=C\C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 63mg/kg (63mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 5, Pg. 634, 1974.