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Substance Name: Sporidesmin E
RN: 22327-77-1
UNII: 7E8A3B9UZJ
InChIKey: NAEONKBZNXPTMI-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-Cl-N3-O6-S3

Molecular Weight

  • 506.022
 
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Names and Synonyms

Name of Substance

  • Sporidesmin E

Synonym

  • UNII-7E8A3B9UZJ

Systematic Name

  • 4,12a-(Iminomethano)-12aH-(1,2,3,5)trithiazepino(4',5':5,1)pyrrolo(2,3-b)indole-5,13(4H)-dione, 10-chloro-6a,7,11b,12-tetrachloro-11b,12-dihydroxy-8,9-dimethoxy-4,7,14-trimethyl-

Registry Numbers

CAS Registry Number

  • 22327-77-1

FDA UNII

  • 7E8A3B9UZJ

System Generated Number

  • 0022327771

Structure Descriptors

InChI

1S/C18H20ClN3O6S3/c1-16-14(24)22-13-17(26,12(23)18(22,30-31-29-16)15(25)21(16)3)7-6-8(19)10(27-4)11(28-5)9(7)20(13)2/h6,12-13,23,26H,1-5H3

InChIKey

NAEONKBZNXPTMI-UHFFFAOYSA-N

Smiles

CC12C(=O)N3C4C(c5cc(c(c(c5N4C)OC)OC)Cl)(C(C3(C(=O)N1C)SSS2)O)O