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Fantofarone

Fantofarone structure

CAS No:
114432-13-2
Formula:
C31H38N2O5S
Chemical Name:
Fantofarone
Synonyms:
Benzeneethanamine,3,4-dimethoxy-N-methyl-N-[3-[4-[[2-(1-methylethyl)-1-indolizinyl]sulfonyl]phenoxy]propyl]-;3,4-Dimethoxy-N-methyl-N-[3-[4-[[2-(1-methylethyl)-1-indolizinyl]sulfonyl]phenoxy]propyl]benzeneethanamine;SR 33557;Fantofarone
Categories:
Organic Chemistry > Amides

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Fantofarone Basic Attributes

Molecular Weight：

550.70900

Exact Mass：

550.71

UNII：

KU213XYO69

DSSTox ID：

DTXSID30150729

Characteristics

PSA：

77.86000

XLogP3：

6.93690

Density：

1.21 g/cm³

Melting Point：

82-83 °C

Refractive Index：

1.573

Drug Information

MeSH：

A class of drugs that act by selective inhibition of calcium influx through cellular membranes. (See all compounds classified as Calcium Channel Blockers.)|Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)|Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

2-isopropyl-1-((4-(3-(N-methyl-N-(3,4-dimethoxy-beta-phenethyl)amino)propoxy)benzenesulfonyl))indolizine

Computed Properties

Molecular Weight:550.7
XLogP3:6.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:550.25014349
Monoisotopic Mass:550.25014349
Topological Polar Surface Area:77.9
Heavy Atom Count:39
Complexity:825
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes