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Substance Name: Roquefortine
RN: 58735-64-1
UNII: 4VW6U94XFK
InChIKey: SPWSUFUPTSJWNG-JJUKSXGLSA-N

Note

  • Metabolite of Penicillium roqueforti.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C22-H23-N5-O2

Molecular Weight

  • 389.4567
 
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Names and Synonyms

Name of Substance

  • Roquefortine

Synonyms

  • BRN 1231991
  • HSDB 7246
  • NSC 292134
  • Roquefortine
  • Roquefortine C
  • UNII-4VW6U94XFK

Systematic Name

  • 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-

Registry Numbers

CAS Registry Number

  • 58735-64-1

FDA UNII

  • 4VW6U94XFK

System Generated Number

  • 0058735641

Structure Descriptors

InChI

1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1

InChIKey

SPWSUFUPTSJWNG-JJUKSXGLSA-N

Smiles

CC(C)(C=C)[C@@]12C[C@@H]3N([C@@H]1Nc4ccccc24)C(=O)\C(=C/c5c[nH]cn5)\NC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Experientia. Vol. 32, Pg. 140, 1976.