Basic Information | Post buying leads | Suppliers |
Name |
(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin |
EINECS | N/A |
CAS No. | 21150-23-2 | Density | 1.1527 (rough estimate) |
PSA | 379.86000 | LogP | -1.08710 |
Solubility | N/A | Melting Point |
N/A |
Formula | C39H54N10O13S | Boiling Point | 1566.5±65.0 °C(Predicted) |
Molecular Weight | 903.09 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
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 | 3 | |
Synonyms |
Gamma-Amanitin; |
Empirical Formula of (S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin (CAS NO.21150-23-2): C39H54N10O13S
Molecular Weight: 902.9703
Index of Refraction: 1.683
Density: 1.53 g/cm3
Flash Point: 901.2 °C
Enthalpy of Vaporization: 255.26 kJ/mol
Boiling Point: 1566.5 °C at 760 mmHg
Structure of (S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin (CAS NO.21150-23-2):
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)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O
InChI: InChI=1S/C39H54N10O13S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-63(62)38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)
InChIKey: WVHGJJRMKGDTEC-UHFFFAOYSA-N
1. | ipr-mus LD50:200 µg/kg | CRTBB2 CRC Critical Reviews in Biochemistry. 5 (1978),185. |
A poison by intraperitoneal route. When heated to decomposition (S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin (CAS NO.21150-23-2) emits toxic vapors of NOx and SOx.
(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin , its cas register number is 21150-23-2. It also can be called alpha-Amanitin, 3-(4-hydroxy-L-isoleucine)-, (S)- ; BRN 1070216 ; and 9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetamide,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 .