API0231868
Pancuronium Bromide
Pamidronate Disodium is used for osteoporosis.
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CAS No.
15500-66-0
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Synonyms
PANCURONIUM BROMIDE; Pancuronium dibromide; 15500-66-0
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CHEMBL ID
CHEMBL1200757
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Compound CID
27350
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Molecular Weight (g/mol)
732.7
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Molecular Formula
C35H60Br2N2O4
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InChI
InChI=1S/C35H60N2O4.2BrH/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
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InChIKey
NPIJXCQZLFKBMV-YTGGZNJNSA-L
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SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]
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IUPAC Name
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide
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Exact Mass (Da)
732.28993
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Monoisotopic Mass (Da)
730.29198
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