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Structure

Disopyramide phosphate

CAS
22059-60-5
Catalog Number
ACM22059605
Category
Other Products
Molecular Weight
437.5
Molecular Formula
C21H29N3O?H3O4P;C21H32N

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Specification

Synonyms
2-[1-(Ammoniocarbonyl)-3-(diisopropylammonio)-1-phenylpropyl)]pyridinium phosphate
IUPAC Name
4-[Di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;phosphoric acid
Canonical SMILES
CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C.OP(=O)(O)O
InChI
InChI=1S/C21H29N3O.H3O4P/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19;1-5(2,3)4/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25);(H3,1,2,3,4)
InChI Key
CGDDQFMPGMYYQP-UHFFFAOYSA-N
Melting Point
202-204 °C
Appearance
White to off-white neat
Storage
2-8 °C
Complexity
459
Exact Mass
437.20795813
Heavy Atom Count
30
Monoisotopic Mass
437.20795813
Topological Polar Surface Area
137 Ų
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