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Aminomethyldithiolano phalloidin
[CAS# 148333-39-5]

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CAS#: 148333-39-5
Product: Aminomethyldithiolano phalloidin
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Identification
Name Aminomethyldithiolano phalloidin
Synonyms Aminomethyldithiolano Phalloidin
Molecular Structure CAS#: 148333-39-5, Aminomethyldithiolano phalloidin
Molecular Formula C45H58N10O10S5
Molecular Weight 1059.31
CAS Registry Number 148333-39-5
SMILES C7=C6C3=C(SCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C1=O)CC(O)C2)C)C3)CC4(SC(CS4)CNC(=O)CCSSC5=CC=CC=N5)C)C)C(O)C)[NH]C6=CC=C7
InChI 1S/C45H58N10O10S5/c1-22-37(59)50-30-16-28-27-9-5-6-10-29(27)53-43(28)66-21-32(44(65)55-19-25(57)15-33(55)41(63)49-22)52-42(64)36(24(3)56)54-38(60)23(2)48-40(62)31(51-39(30)61)17-45(4)67-20-26(69-45)18-47-34(58)12-14-68-70-35-11-7-8-13-46-35/h5-11,13,22-26,30-33,36,53,56-57H,12,14-21H2,1-4H3,(H,47,58)(H,48,62)(H,49,63)(H,50,59)(H,51,61)(H,52,64)(H,54,60)
InChIKey XWAXJAIBRHWNMP-UHFFFAOYSA-N
Properties
Density 1.519g/cm3 (Cal.)
Boiling point 1481.873°C at 760 mmHg (Cal.)
Flash point 850.006°C (Cal.)
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