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(+)-Tubocurarine chloride hydrochloride pentahydrate
[CAS# 6989-98-6]

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Identification
Classification Natural product >> Alkaloid
Name (+)-Tubocurarine chloride hydrochloride pentahydrate
Synonyms D-Tubocurarine Chloride Pentahydrate; 93750_Fluka; D02207
Molecular Structure CAS#: 6989-98-6, (+)-Tubocurarine chloride hydrochloride pentahydrate
Molecular Formula C37H52Cl2N2O11
Molecular Weight 771.73
CAS Registry Number 6989-98-6
SMILES [C@H]14[N+](CCC2=CC(=C(O)C(=C12)OC7=CC=C(C[C@@H]5N(CCC6=CC(=C(OC3=C(O)C=CC(=C3)C4)C=C56)OC)C)C=C7)OC)(C)C.[H+].[Cl-].[Cl-].O.O.O.O.O
InChI 1S/C37H40N2O6.2ClH.5H2O/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;;;;;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H;5*1H2/t28-,29+;;;;;;;/m0......./s1
InChIKey WMIZITXEJNQAQK-GGDSLZADSA-N
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