BATRACHOTOXIN ,23509-16-2 _Chemical Cloud Database

BATRACHOTOXIN

Basic Information
Product Name：	BATRACHOTOXIN
CAS：	23509-16-2
English Synonyms：	BTX ; BATRACHOTOXININ A ; BATRACHOTOXIN ; 20-(2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE) BATRACHOTOXININ A ; BATRACHOTOXININ A, 20-(2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLATE)
MDL Number.：	MFCD01666246
H bond acceptor：	8
H bond donor：	3
Smile：	Cc1c[nH]c(c1C(=O)O[C@@H](C)C2=CC[C@@]34[C@@]2(C[C@H]([C@@]56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C)C
InChi：	InChI=1S/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/t20-,21+,24+,27-,28-,29-,30-,31-/m0/s1
InChiKey：	InChIKey=ISNYUQWBWALXEY-KQSRDXMQSA-N

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