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Substance Name: Sporidesmin B
RN: 3351-96-0
UNII: 0YY87TLX8U
InChIKey: HCAHETRFJITQNU-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-Cl-N3-O5-S2

Molecular Weight

  • 457.957
 
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Names and Synonyms

Name of Substance

  • Sporidesmin B

Synonyms

  • NSC 246153
  • Sporidesmin B
  • UNII-0YY87TLX8U

Systematic Name

  • 3,11a-Epidithio-11aH-pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4-dione, 9-chloro-2,3,5a,6,10b,11-hexahydro-10b-hydroxy-7,8-dimethoxy-2,3,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 3351-96-0

FDA UNII

  • 0YY87TLX8U

Related Registry Number

  • 1456-55-9 (Parent)

System Generated Number

  • 0003351960

Structure Descriptors

InChI

1S/C18H20ClN3O5S2/c1-16-14(23)22-13-17(25,7-18(22,29-28-16)15(24)21(16)3)8-6-9(19)11(26-4)12(27-5)10(8)20(13)2/h6,13,25H,7H2,1-5H3

InChIKey

HCAHETRFJITQNU-UHFFFAOYSA-N

Smiles

N12[C@@]3(C(=O)N([C@@](C2=O)(C)SS3)C)C[C@@]2(O)c3cc(c(c(c3N(C)[C@@H]12)OC)OC)Cl