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Substance Name: Kurilostatin
RN: 138615-24-4
InChIKey: IRVQWGGQZWEVAI-HVZHFXKOSA-N

Note

  • From sea sponges.

Molecular Formula

  • C18-H14-Br-N3-O2-S.C2-H6-O

Molecular Weight

  • 462.366
 
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Names and Synonyms

Name of Substance

  • Kurilostatin

Systematic Names

  • 11H-8,13a-Methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2H)-dione, 12-bromo-3,5,7,8,9a,10-hexahydro-(8S-(8alpha,9abeta,13aalpha))-, compd. with ethanol (1:1)
  • 11H-8,13a-Methanopyrrolo(4',3',2':4,5)quino(7,8-d)(1,3)benzothiazepine-6,11(2H)-dione, 12-bromo-3,5,7,8,9a,10-hexahydro-, (8S-(alpha,9abeta,13aalpha))-, compd. with ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 138615-24-4

System Generated Number

  • 0138615244

Molecular Formulas

Molecular Formula

  • C18-H14-Br-N3-O2-S.C2-H6-O

Molecular Formula Fragments

  • C18-H14-Br-N3-O2-S
  • C2-H6-O
  • COMPONENT

Structure Descriptors

InChI

1S/C18H14BrN3O2S.C2H6O/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24;1-2-3/h4,6,10-11,21-22H,1-3,5H2;3H,2H2,1H3/t10-,11-,18?;/m1./s1

InChIKey

IRVQWGGQZWEVAI-HVZHFXKOSA-N

Smiles

CCO.c1c2c3c([nH]1)C(=O)C4=C(C3=NCC2)C56C[C@H](N4)S[C@@H]5CC(=O)C(=C6)Br