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Substance Name: Verrucarin A
RN: 3148-09-2
UNII: OL62X66O4I
InChIKey: NLUGUZJQJYVUHS-IDXDZYHTSA-N

Molecular Formula

  • C27-H34-O9

Molecular Weight

  • 502.5566
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • Muconomycin A
  • Verrucarin A

Synonyms

  • 379Y
  • AI3-29707
  • Antibiotic 379Y
  • Muconomycin A
  • NSC 126728
  • NSC 200736
  • UNII-OL62X66O4I
  • VER A
  • Verrucarin A

Systematic Names

  • Spiro(16,18-methano-1H,3H,23H-(1,6,12)trioxacyclooctadecino(3,4-d)(1)benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer
  • Verrucarin A (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 3148-09-2

FDA UNII

  • OL62X66O4I

System Generated Number

  • 0003148092

Structure Descriptors

InChI

1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1

InChIKey

NLUGUZJQJYVUHS-IDXDZYHTSA-N

Smiles

C[C@@H]1CCOC(=O)\C=C\C=C/C(=O)O[C@@H]2C[C@H]3O[C@@H]4C=C(C)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]35CO5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500ug/kg (0.5mg/kg)   Toxicology and Applied Pharmacology. Vol. 15, Pg. 262, 1969.
mouse LD50 intraperitoneal 500ug/kg (0.5mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Toxicology and Applied Pharmacology. Vol. 15, Pg. 262, 1969.
mouse LD50 intravenous 1500ug/kg (1.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 893, 1965.
mouse LD50 subcutaneous 3900ug/kg (3.9mg/kg)   Toxicon. Vol. 24, Pg. 985, 1986.
rabbit LD50 intravenous 540ug/kg (0.54mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 893, 1965.
rat LD50 intravenous 870ug/kg (0.87mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 893, 1965.