Brevetoxin B | CAS No. 79580-28-2

Brevetoxin B

Basic Information

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CAS Number

79580-28-2

Molecular Formula

C50H70O14

Molecular Weight

895.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)C=O)O)C)C)(OC6(CC5)C)C

InChI

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-/t26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1

InChIKey

LYTCVQQGCSNFJU-FGRVLNGBSA-N

LogP

5.472100000000006

Topological Polar Surface Area

155.9 Å²

Hydrogen Bond Donor/Acceptor

1 / 14

Complexity

1940

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

NS00075592
SCHEMBL869360
Brevetoxin PbTx-2, Ptychodiscus brevis
Q27149820
BDBM50172364
2-{[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.0^{3,26}.0^{5,24}.0^{7,20}.0^{9,18}.0^{11,16}.0^{30,48}.0^{33,46}.0^{35,44}.0^{37,42}]pentaconta-21,40-dien-14-yl]methyl}prop-2-enal
brevetoxin-2
Brevetoxin-2;PbTx-2
AKOS040755026
2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl]methyl]prop-2-enal
Brevetoxin B
BREVETOXIN PBTX-2-20C
LYTCVQQGCSNFJU-FGRVLNGBSA-N
CHEMBL413858
brevetoxin pbtx-2
HY-12546
79580-28-2
8WBN7K7T6Z
CS-0012002
Brevetoxin 2
DTXSID20879997
CHEBI:80770
PbTx-2
BREVETOXIN 2 (PBTX-2)
BREVETOXIN 2
brevetoxin-B
btx-b
gb2
gb2toxin
GBTX-2
PBTX-2

MDL Number

MFCD00214092

FAQ

What is Brevetoxin B (CAS: 79580-28-2)?

Brevetoxin B (CAS: 79580-28-2) is a marine toxin produced by certain species of dinoflagellates, particularly Karenia brevis. It is a polyether toxin with a molecular weight of approximately 1200 Da. Brevetoxin B exhibits potent neurotoxic properties, which can cause respiratory distress and neurotoxic shellfish poisoning in humans and marine mammals.

What are the main uses of Brevetoxin B (CAS: 79580-28-2)?

Brevetoxin B (CAS: 79580-28-2) is primarily used in research to study the mechanisms of neurotoxic effects and to develop treatments for neurodegenerative diseases. It is also of interest in toxicology and marine biology for understanding the impacts of harmful algal blooms on marine ecosystems.

Is Brevetoxin B (CAS: 79580-28-2) safe?

Brevetoxin B (CAS: 79580-28-2) is not considered safe for human consumption and should be handled with caution due to its potent neurotoxic properties. Proper protective measures, such as gloves and lab coats, should be used when handling this compound. It is important to store it under secure conditions to prevent accidental exposure.

How should Brevetoxin B (CAS: 79580-28-2) be stored?

Brevetoxin B (CAS: 79580-28-2) should be stored in a cool, dry place away from direct sunlight and heat sources to maintain its stability. It should be kept in a tightly sealed container and stored at a temperature between 2°C and 8°C (36°F to 46°F) to prevent degradation. Adequate ventilation should be provided to avoid the risk of inhalation exposure.