34-Sulfabastadin 13
[CAS# 152213-67-7]

Identification

• Name: 34-Sulfabastadin 13
• Molecular Formula: C₃₄H₂₈Br₃N₄NaO₁₁S
• Molecular Weight: 963.38
• CAS Registry Number: 152213-67-7
• SMILES: O=[S](OC1=C(Br)C=C4C=C1OC2=C(Br)C=C(C=C2)C/C(=N/O)C(=O)NCCC5=CC=C(OC3=CC(=CC=C3O)CCNC(=O)C(=N/O)/C4)C(=C5)Br)([O-])=O.[Na+]
• InChI: 1S/C34H29Br3N4O11S.Na/c35-22-11-18-2-5-28(22)50-30-16-19(1-4-27(30)42)8-10-39-34(44)26(41-46)15-21-13-24(37)32(52-53(47,48)49)31(17-21)51-29-6-3-20(12-23(29)36)14-25(40-45)33(43)38-9-7-18;/h1-6,11-13,16-17,42,45-46H,7-10,14-15H2,(H,38,43)(H,39,44)(H,47,48,49);/q;+1/p-1/b40-25-,41-26+
• InChIKey: AMJKRQGYYNSQMO-RMWMVNJESA-M