- BREVETOXIN
- Brevetoxin T17
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Cas Database |
| Name |
Brevetoxin T17 |
EINECS | N/A |
| CAS No. | 85079-48-7 | Density | 1.187g/cm3 |
| PSA | 159.06000 | LogP | 5.26550 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C50H72O14 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 885.0876 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ptychodiscus brevis toxin 3;Toxin T-17;T-17 toxin;Brevetoxin T17;Brevetoxin PbTx 3;GB 3 toxin;PbTx 3;brevetoxin-3;[3H]-PbTx 3;GB 3; |
Article Data | 3 |
Brevetoxin T17 Chemical Properties
Product Name: Brevetoxin T17 (CAS NO.85079-48-7)
Molecular Formula: C50H72O14
Molecular Weight: 897.1g/mol
Mol File: 85079-48-7.mol
Density: 1.187 g/cm3
Surface Tension: 37.7 dyne/cm
XLogP3-AA: 3.8
H-Bond Donor: 2
H-Bond Acceptor: 14
Structure Descriptors of Brevetoxin T17 (CAS NO.85079-48-7):
Canonical SMILES: 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)CO)O)C)C)(OC6(CC5)C)C
Isomeric SMILES: CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(C/C=C\C9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)CO)O)C)C)(OC6(CC5)C)C
InChI: InChI=1S/C50H72O14/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/h9-10,16,26,28-42,44-45,51-52H,1,11-15,17-24H2,2-8H3/b10-9-
InChIKey: BKMHDYJRAAJTAD-KTKRTIGZSA-N
Brevetoxin T17 Toxicity Data With Reference
| 1. | orl-mus LD50:520 µg/kg | TOXIA6 Toxicon. 20 (1982),457. | ||
| 2. | ipr-mus LD50:170 µg/kg | TOXIA6 Toxicon. 20 (1982),457. | ||
| 3. | ivn-mus LD50:94 µg/kg | TOXIA6 Toxicon. 20 (1982),457. | ||
| 4. | ipr-gpg TDLo:0.02 mg/kg | VCVPS* Vrednie chemichescie veshestva. Prirodnie organicheskie soedinenia Volkova N.V. et al.,Sankt-Peterburg,1998,246. |
Brevetoxin T17 Safety Profile
A poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits acrid smoke and irritating vapors.
Brevetoxin T17 Specification
Brevetoxin T17 ,its CAS NO. is 85079-48-7,the synonyms is 42-Deoxo-42-hydroxybrevetoxin ; Brevetoxin 3 ; Brevetoxin PbTx 3 ; Dihydrobrevetoxin B ; GB 3 ; GB 3 toxin ; PbTx 3 ; Ptychodiscus brevis toxin 3 ; T 17 ; T-17 toxin ; Brevetoxin B, 42-deoxo-42-hydroxy- .
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