Kurilostatin
[CAS# 138615-24-4]

Identification

• Name: Kurilostatin
• Synonyms: 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)
• Molecular Formula: C₂₀H₂₀BrN₃O₃S
• Molecular Weight: 462.36
• CAS Registry Number: 138615-24-4
• SMILES: [C@H]13S[C@H]2NC6=C(C1(C2)C=C(Br)C(=O)C3)C4=NCCC5=C[NH]C(=C45)C6=O.C(O)C
• 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