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Substance Name: Brevetoxin B
RN: 79580-28-2
InChIKey: LYTCVQQGCSNFJU-KTKRTIGZSA-N

Note

  • From dinoflagellate Gymnodinium breve.

Classification Code

  • Natural Product

Molecular Formula

  • C50-H70-O14

Molecular Weight

  • 895.089
 
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Names and Synonyms

Name of Substance

  • Brevetoxin B

Synonyms

  • Brevetoxin 2
  • Brevetoxin PbTx 2
  • Brevetoxin T 34
  • BTX-B
  • GB 2
  • GB 2 (Gymnodinium)
  • GB 2 toxin
  • Ptychodiscus brevis toxin 2
  • T 4-7
  • T 4-7 toxin
  • T-34 toxin

Systematic Names

  • 1H-Pyrano(2'',3'':5',6')pyrano(2',3':5,6)pyrano(3,2-b)pyrano(2'''''',3'''''':5''''',6''''')pyrano(2''''',3''''':5'''',6'''')pyrano(2'''',3'''':6''',7''')oxepino(2''',3''':6'',7'')oxepino(2'',3'':5',6')pyrano(2',3':5,6)pyrano(2,3-g)oxocin-3-propanal, 2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,18,20a,21a,22,22a,23a,24,25,25a,26a,27,27a,28a,29,29a,30a-tetratriacontahydro-1-hydroxy-9a,13,20,21a,25a,26a,30a-heptamethyl-alpha-methylene-18-oxo-, (1S-(1alpha,3alpha,4aalpha,5aalpha,6aalpha,9aalpha,10aalpha, 11aalpha,12aalpha,13beta,14aalpha,15aalpha,16aalpha,20abeta, 21abeta,22abeta,23abeta,25abeta,26abeta,27abeta,28abeta,29abeta,30abeta))-
  • Brevetoxin B
  • Toxin T-34

Registry Numbers

CAS Registry Number

  • 79580-28-2

System Generated Number

  • 0079580282

Structure Descriptors

InChI

1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9-

InChIKey

LYTCVQQGCSNFJU-KTKRTIGZSA-N

Smiles

C=1C(O[C@@H]2C[C@@H]3[C@@](O[C@@H]2C1C)(C)C[C@@H]1O[C@@H]2[C@@H]([C@@H](C[C@@H]1O3)C)O[C@@H]1[C@@](CC2)(O[C@@]2(C[C@@H]3[C@@](O[C@@H]2C1)(CC=C[C@@H]1[C@@H](O3)C[C@@H]2[C@@H](O1)C[C@@H]1[C@@](O2)([C@@H](C[C@@H](O1)CC(C=O)=C)O)C)C)C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200ug/kg (0.2mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FASCICULATIONS
Toxicon. Vol. 20, Pg. 457, 1982.
mouse LD50 intravenous 200ug/kg (0.2mg/kg) PERIPHERAL NERVE AND SENSATION: FASCICULATIONS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR
Toxicon. Vol. 20, Pg. 457, 1982.
mouse LD50 oral 6600ug/kg (6.6mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

PERIPHERAL NERVE AND SENSATION: FASCICULATIONS
Toxicon. Vol. 20, Pg. 457, 1982.