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Lodenafil Carbonate

CAT: 0572-TRC-L469300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L469300-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
398507-55-6
Synonyms
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5,5'-[carbonylbis[oxy-2,1-ethanediyl-4,1-piperazinediylsulfonyl(6-ethoxy-3,1-phenylene)]]bis[1,6-dihydro-1-methyl-3-propyl-; 1-Piperazineethanol, 4-[[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-, carbonate (2:1) (ester) (9CI); Lodenafil carbonate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CCOC(=O)OCCN5CCN(CC5)S(=O)(=O)c6ccc(OCC)c(c6)C7=Nc8c(CCC)nn(C)c8C(=O)N7)CC4
Molecular Formula
C47 H62 N12 O11 S2
Molecular Weight
1035.2
InChI
InChI=1S/C47H62N12O11S2/c1-7-11-35-39-41(54(5)52-35)45(60)50-43(48-39)33-29-31(13-15-37(33)67-9-3)71(63,64)58-21-17-56(18-22-58)25-27-69-47(62)70-28-26-57-19-23-59(24-20-57)72(65,66)32-14-16-38(68-10-4)34(30-32)44-49-40-36(12-8-2)53-55(6)42(40)46(61)51-44/h13-16,29-30H,7-12,17-28H2,1-6H3,(H,48,50,60)(H,49,51,61)
Additionnal Information
IUPAC name: bis[2-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]ethyl] carbonate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lodenafil Carbonate

Lodenafil carbonate has been used in trials studying the treatment of Coronaropathy and Erectile Dysfunction.

CAS Number398507-55-6
PubChem CID135431100
IUPAC Namebis[2-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]ethyl] carbonate
Molecular FormulaC47H62N12O11S2
Molecular Weight1035.2
XLogP3
Topological Polar Surface Area271
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count22
Heavy Atom Count72
Formal Charge0
Complexity2020
SMILES
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCOC(=O)OCCN5CCN(CC5)S(=O)(=O)C6=CC(=C(C=C6)OCC)C7=NC8=C(C(=O)N7)N(N=C8CCC)C)OCC)C
InChI
InChI=1S/C47H62N12O11S2/c1-7-11-35-39-41(54(5)52-35)45(60)50-43(48-39)33-29-31(13-15-37(33)67-9-3)71(63,64)58-21-17-56(18-22-58)25-27-69-47(62)70-28-26-57-19-23-59(24-20-57)72(65,66)32-14-16-38(68-10-4)34(30-32)44-49-40-36(12-8-2)53-55(6)42(40)46(61)51-44/h13-16,29-30H,7-12,17-28H2,1-6H3,(H,48,50,60)(H,49,51,61)
InChIKey
MVYUCRDXZXLFSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lodenafil Carbonate
CAS: 398507-55-6
CID: 135431100
Formula: C47H62N12O11S2
MW: 1035.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1035.2
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count22
Exact Mass1034.41024319
Monoisotopic Mass1034.41024319
Topological Polar Surface Area271 Ų
Heavy Atom Count72
Formal Charge0
Complexity2020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3843806-01Lodenafil carbonate
HY-108045RLodenafil carbonate (Standard)
A19350-50Lodenafil carbonate 50mg
A19350-10Lodenafil carbonate 10mg
A19350-5Lodenafil carbonate 5mg
A19350-1Lodenafil carbonate 1mg
MBS5752491Lodenafil

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