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Pyruvyl Fentanyl

CAT: 0572-TRC-P998945-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P998945-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1243952-13-7
Synonyms
2-Oxo-N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide; Pyruvyl Fentanyl; 2-Oxo-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: I
Purity
>95% (HPLC)
Smiles
CC(=O)C(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3
Molecular Formula
C22 H26 N2 O2
Molecular Weight
350.45
InChI
InChI=1S/C22H26N2O2/c1-18(25)22(26)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3
Additionnal Information
IUPAC name: 2-oxo-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pyruvyl fentanyl
CAS Number1243952-13-7
PubChem CID157010673
IUPAC Name2-oxo-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular FormulaC22H26N2O2
Molecular Weight350.5
XLogP3.5
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
CC(=O)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-18(25)22(26)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3
InChIKey
ALMTYKYZZQNMNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyruvyl fentanyl
CAS: 1243952-13-7
CID: 157010673
Formula: C22H26N2O2
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass350.199428076
Monoisotopic Mass350.199428076
Topological Polar Surface Area40.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
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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