Cas no 79580-28-2 (Brevetoxin B)
Brevetoxin B structure
Product Name:Brevetoxin B
CAS No:79580-28-2
MF:C50H70O14
MW:895.082417011261
CID:563779
PubChem ID:10865865
Update Time:2025-04-19
Brevetoxin B Chemical and Physical Properties
Names and Identifiers
-
- Brevetoxin B
- BREVETOXIN 2 (PBTX-2)
- BREVETOXIN 2
- brevetoxin-B
- btx-b
- gb2
- gb2toxin
- GBTX-2
- PBTX-2
- t4-7
- t4-7toxin
- toxint-34
- 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
- 8WBN7K7T6Z
- BDBM50172364
- NS00075592
- CHEMBL413858
- Q27149820
- 79580-28-2
- SCHEMBL869360
- brevetoxin-2
- 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 pbtx-2
- CHEBI:80770
- DTXSID20879997
- CS-0012002
- LYTCVQQGCSNFJU-FGRVLNGBSA-N
- Brevetoxin PbTx-2, Ptychodiscus brevis
- Brevetoxin-2;PbTx-2
- HY-12546
- BREVETOXIN PBTX-2-20C
- AKOS040755026
- T-34 toxin
- GB 2 (Gymnodinium)
- Toxin T-34
- UNII-8WBN7K7T6Z
- Brevetoxin T 34
- Ptychodiscus brevis toxin 2
- T 4-7 toxin
- T 4-7
- 2-[[(21Z)-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
- GB 2 toxin
- Brevetoxin PbTx 2
- DA-61876
- DTXCID101021600
- Brevetoxin2(PbTx-2)
-
- 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
- InChI Key： LYTCVQQGCSNFJU-FGRVLNGBSA-N
- SMILES： O1[C@]2(C)CC[C@H]3[C@@H]([C@H](C)C[C@H]4[C@@H](C[C@@]5(C)[C@@H](C[C@H]6[C@@H](C(C)=CC(=O)O6)O5)O4)O3)O[C@H]2C[C@@H]2[C@]1(C)C[C@@H]1[C@](C)(CC=C[C@@H]3[C@H](C[C@@H]4[C@H](C[C@@H]5[C@](C)([C@H](C[C@@H](CC(=C)C=O)O5)O)O4)O3)O1)O2 |c:45|
Computed Properties
- Exact Mass: 894.47700
- Monoisotopic Mass: 894.47655690g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 64
- Rotatable Bond Count: 3
- Complexity: 1940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 23
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 156?2
Experimental Properties
- PSA: 155.90000
- LogP: 5.47210
Brevetoxin B Security Information
- Hazardous Material transportation number：UN 2811 6.1/PG 2
- WGK Germany：3
- Hazard Category Code： 26/27/28
- Safety Instruction： S22; S36/37/39; S45
- RTECS：XW5886000
-
Hazardous Material Identification：
- HazardClass：6.1(a)
- PackingGroup：I
- Safety Term：6.1(a)
- Risk Phrases：R26/27/28
- Packing Group：I
- Hazard Level：6.1(a)
Brevetoxin B Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 80589-0.5ML |
Brevetoxin B |
79580-28-2 | 0.5ml |
￥4312.79 | 2023-10-21 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci70194-100ug |
Brevetoxin B |
79580-28-2 | 98% | 100ug |
￥2925.00 | 2022-04-26 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-203853-100μg |
Brevetoxin PbTx-2, |
79580-28-2 | ≥95% | 100μg |
￥4851.00 | 2023-09-05 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 80589-0.5ML |
79580-28-2 | 0.5ML |
￥3908.14 | 2023-01-15 | |||
| LKT Labs | B6917-100 μg |
Brevetoxin 2 |
79580-28-2 | ≥95% | 100μg |
$382.60 | 2023-04-12 | |
| LKT Labs | B6917-1 mg |
Brevetoxin 2 |
79580-28-2 | ≥95% | 1mg |
$3,237.30 | 2023-07-11 | |
| LKT Labs | B6917-5 mg |
Brevetoxin 2 |
79580-28-2 | ≥95% | 5mg |
$9,759.00 | 2023-07-11 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-203853-100 μg |
Brevetoxin PbTx-2, |
79580-28-2 | ≥95% | 100μg |
￥4,851.00 | 2023-07-11 | |
| LKT Labs | B6917-100 μg |
Brevetoxin 2 |
79580-28-2 | ≥95% | 100μg |
$382.60 | 2023-07-11 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 80589-0.5l |
Brevetoxin B |
79580-28-2 | 0.5l |
￥3694.81 | 2024-12-26 |
Brevetoxin B Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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