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(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin

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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 Molecular Structure of 21150-23-2 (gamma-amanitin) Hazard Symbols 3
Synonyms

Gamma-Amanitin;

 

(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin Chemical Properties

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

(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin Toxicity Data With Reference

1.    

ipr-mus LD50:200 µg/kg

    CRTBB2    CRC Critical Reviews in Biochemistry. 5 (1978),185.

(S)-3-(4-hydroxy-L-isoleucine)-alpha-amanitin Safety Profile

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 Specification

 (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 .

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