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| Name |
epsilon-Amanitin |
EINECS | N/A |
| CAS No. | 21705-02-2 | Density | 1.55g/cm3 |
| PSA | 374.07000 | LogP | -1.18810 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C39H53 N9 O14 S | Boiling Point | 1544.2°Cat760mmHg |
| Molecular Weight | 904.07 | Flash Point | 887.7°C |
| Transport Information | N/A | Appearance | Colorless, crystalline solid |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
a-Amanitin, 1-L-asparticacid-3-[(S)-4-hydroxy-L-isoleucine]-;9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indole,cyclic peptide deriv.; Cyclo[L-a-aspartyl-4-hydroxy-L-prolyl-(S)-4-hydroxy-L-isoleucyl-6-hydroxy-2-mercapto-L-tryptophylglycyl-L-isoleucylglycyl-L-cysteinyl],cyclic (4®8)-sulfide, (R)-S-oxide |
epsilon-Amanitin Chemical Properties
Product Name: epsilon-Amanitin
CAS Registry Number: 21705-02-2
Synonyms: Cyclo(L-alpha-aspartyl-4-hydroxy-L-prolyl-(S)-4-hydroxy-L-isoleucyl-6-hydroxy-2-mercapto-L-tryptophylglycyl-L-isoleucylglycyl-L-cysteinyl), cyclic (4-8)-sulfide, (R)-8-oxide ; alpha-Amanitin, 1-L-aspartic acid-3-((S)-4-hydroxy-L-isoleucine)- ; alpha-Amanitin, 1-L-aspartic acid-3-(4-hydroxy-L-isoleucine)-, (S)- epsilon-Amanitin
Systematic Name: 9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide
Molecular Weight: 903.95502 [g/mol]
Molecular Formula: C39H53N9O14S
XLogP3-AA: -2.7
H-Bond Donor: 12
H-Bond Acceptor: 14
Surface Tension: 94.2 dyne/cm
Density: 1.55 g/cm3
Flash Point: 887.7 °C
Enthalpy of Vaporization: 250.8 kJ/mol
Boiling Point: 1544.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Following is the molecular structure of epsilon-Amanitin (CAS NO.21705-02-2) is:
epsilon-Amanitin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 300ug/kg (0.3mg/kg) | CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978. | |
| mouse | LD50 | unreported | 500ug/kg (0.5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2142, 1972. |
epsilon-Amanitin Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
epsilon-Amanitin Specification
Descriptors computed from structure, you can know some information about epsilon-Amanitin (CAS NO.21705-02-2) :
Canonical SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O
InChI: InChI=1S/C39H53N9O14S/c1-5-16(2)31-36(59)41-12-28(52)42-26-15-63(62)38-22(21-7-6-19(50)8-23(21)45-38)10-24(33(56)40-13-29(53)46-31)43-37(60)32(17(3)18(4)49)47-35(58)27-9-20(51)14-48(27)39(61)25(11-30(54)55)44-34(26)57/h6-8,16-18,20,24-27,31-32,45,49-51H,5,9-15H2,1-4H3,(H,40,56)(H,41,59)(H,42,52)(H,43,60)(H,44,57)(H,46,53)(H,47,58)(H,54,55)
InChIKey: OFILNAORONITPV-UHFFFAOYSA-N
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