Cas no 2376250-20-1 (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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel-)

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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel- structure
2376250-20-1 structure
Product 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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel-
CAS No:2376250-20-1
MF:C31H30N6O6S6
MW:774.996498584747
CID:6639884
Update Time:2024-02-02

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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel- Chemical and Physical Properties

Names and Identifiers

    • 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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel-
    • Inchi: 1S/C31H30N6O6S6/c1-33-25(42)30(15-38)34(2)23(40)28(33,46-48-49-47-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,45-44-29)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+/m0/s1
    • InChI Key: DVPMWXWNYJCZHY-KHMLTABWSA-N
    • SMILES: N1C2=C(C=CC=C2)[C@]2(N3C4=C(C=CC=C4)C(C[C@]45N(C)C(=O)[C@](CO)(N(C)C4=O)SSSS5)=C3)C[C@]34SS[C@](CO)(C(=O)N3[C@]12[H])N(C)C4=O

Experimental Properties

  • Density: 1.81±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • pka: 12.69±0.10(Predicted)

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-[3-[[(1R,6R)-6-(hydroxymethyl)-7,9-dimethyl-8,10-dioxo-2,3,4,5-tetrathia-7,9-diazabicyclo[4.2.2]dec-1-yl]methyl]-1H-indol-1-yl]-2-methyl-, (3R,5aS,10bR,11aR)-rel- Related Literature

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