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Substance Name: Rubratoxin B
RN: 21794-01-4
UNII: J38U4758MY
InChIKey: ZJTBTDVZNGBSNG-RETZLTROSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C26-H30-O11

Molecular Weight

  • 518.512
 
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Names and Synonyms

Name of Substance

  • Rubratoxin B

Synonyms

  • 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, (4R*,5S*(R*),10S*(S*(S*)))-(+)-
  • BRN 1633114
  • CCRIS 4939
  • EINECS 244-582-6
  • HSDB 3533
  • NSC 126729
  • Rubratoxin B
  • UNII-J38U4758MY

Systematic Names

  • (4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
  • 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)- (8CI)
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-
  • Rubratoxin B

Registry Numbers

CAS Registry Number

  • 21794-01-4

FDA UNII

  • J38U4758MY

System Generated Number

  • 0021794014

Structure Descriptors

InChI

1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1

InChIKey

ZJTBTDVZNGBSNG-RETZLTROSA-N

Smiles

CCCCCC[C@@H](O)[C@H]1[C@@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@H](O)[C@@H]4CC=CC(=O)O4)C(=O)OC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraperitoneal 200ug/kg (0.2mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.
chicken LD50 intraperitoneal > 4gm/kg (4000mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.
dog LDLo intraperitoneal 500ug/kg (0.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Journal of Environmental Pathology and Toxicology. Vol. 1(1), Pg. 59, 1977.
gerbil LD50 intraperitoneal 2mg/kg (2mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Chemical Toxicology. Vol. 25, Pg. 843, 1987.
guinea pig LD50 intraperitoneal 480ug/kg (0.48mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.
hamster LD50 intraperitoneal 400ug/kg (0.4mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
Food and Chemical Toxicology. Vol. 25, Pg. 685, 1987.
mouse LD50 intraperitoneal 270ug/kg (0.27mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.
mouse LD50 subcutaneous 6800ug/kg (6.8mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 135, 1981.
mouse LD50 unreported 5600ug/kg (5.6mg/kg)   Toxicology and Applied Pharmacology. Vol. 37, Pg. 139, 1976.
rat LD50 intraperitoneal 360ug/kg (0.36mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.
rat LD50 oral 400mg/kg (400mg/kg) BLOOD: HEMORRHAGE Toxicology and Applied Pharmacology. Vol. 19, Pg. 712, 1971.