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3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate structure

CAS No:
77951-49-6
Formula:
C16H20N2O6S2
Chemical Name:
3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate
Synonyms:
N,N'-dipropyl-4,4'-bipyridinium sulfonate;PVS-4,4';N,N'-Dipropyl-4,4'-bipyridinium sulfonate;77951-49-6;3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate;Pvs-4,4';SCHEMBL4411842;DTXSID70228613;STK529139;1,1'-Bis(3-sulfopropyl)-4,4'-bipyridinium dihydroxide, bis (inner salt);AKOS005462298;MCULE-1654619504;n,n'-bis(3-sulfonatopropyl)-4,4'-bipyridinium;3,3'-(4,4'-bipyridinium-1,1'-diyl)dipropane-1-sulfonate;4,4'-Bipyridinium, 1,1'-bis(3-sulfopropyl)-, dihydroxide, bis (inner salt)
Categories:
Pharmaceutical Intermediates > Antifungals

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3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate Basic Attributes

Molecular Weight：

400.5 g/mol

Exact Mass：

400.07627871 g/mol

DSSTox ID：

DTXSID70228613

HScode：

2933399090

Characteristics

PSA：

139 Å²

XLogP3：

1.08980

Drug Information

MeSH Entry Terms：

N,N'-dipropyl-4,4'-bipyridinium sulfonate

Computed Properties

Molecular Weight:400.5
XLogP3:-0.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:400.07627871
Monoisotopic Mass:400.07627871
Topological Polar Surface Area:139
Heavy Atom Count:26
Complexity:528
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-[1-(3-sulfonatopropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propane-1-sulfonate

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