3,11a-Epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione,2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-,(3S,5aR,10bS,11aS)- (1403-36-7)

Identification
Name:	3,11a-Epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione,2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-,(3S,5aR,10bS,11aS)-
Synonyms:	Chaetomin(8CI); 2,3-Dithia-5,7-diazabicyclo[2.2.2]octane, chaetomin deriv.;3,11a-Epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole, chaetomin deriv.;Chetomin; NSC 289491; Stereoisomer of2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-3,11a-epidithio-11aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione
CAS:	1403-36-7
Molecular Formula:	C31H30 N6 O6 S4
Molecular Weight:	710.8665
InChI:	InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28-,29+,30+,31+/m1/s1
Molecular Structure:
Properties
Melting Point:	710.9oC
Flash Point:	°C
Boiling Point:	°Cat760mmHg
Density:	1.78 g/cm³
Refractive index:	1.889
Water Solubility:	Soluble in DMSO, ethyl acetate or pyridine; fairly soluble in methanol, 100% ethanol; insoluble in water.
Solubility:	Soluble in DMSO, ethyl acetate or pyridine; fairly soluble in methanol, 100% ethanol; insoluble in water.
Appearance:	Off-white to fawn solid.
Flash Point:	°C
Safety Data