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TPN171 500mg

CAT: 0628-A18464-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A18464-500Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1229018-87-4

Chemical Information

Tpn171

Simmerafil is under investigation in clinical trial NCT06301854 (Long-term Safety of TPN171H Tablet in Erectile Dysfunction.).

CAS Number1229018-87-4
PubChem CID136197286
IUPAC NameN-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide
Molecular FormulaC24H35N5O3
Molecular Weight441.6
XLogP2.5
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity727
SMILES
CCCOC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C)C3=NC(=C(C(=O)N3)CC)CC
InChI
InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31)
InChIKey
PIOIVHHIGWTEJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tpn171
CAS: 1229018-87-4
CID: 136197286
Formula: C24H35N5O3
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass441.27399000
Monoisotopic Mass441.27399000
Topological Polar Surface Area86.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity727
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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