BTX

[1. Abbreviation for brevetoxins; botulinum toxin.

Molecular Formula: C₃₁H₄₂N₂O₆

InChI: InChI=1/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20u,21-,24-,27+,28?,29+,30u,31?/m1/s1

InChIKey: InChIKey=ISNYUQWBWALXEY-LFYQKZMRBU
SMILES: CC1=CNC(=C1C(=O)OC(C)C2=CCC34C2(CC(C56C3=CCC7C5(CCC(C7)(O6)O)C)O)CN(CCO4)C)C

Names:
    Batrachotoxinin A, 20-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
    BATRACHOTOXIN
    Betrachotoxinin A, 20-alpha-(2,4-dimethyl-1H-pyrrole-3-carboxylate) (9CI)
    BTX
    23509-16-2

Registries:
    PubChem CID 31958
    PubChem ID 173974