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Beta'-Phenyl Fentanyl

CAT: 0572-TRC-B694274-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694274-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79279-02-0
Synonyms
3-Phenylpropanoyl fentanyl; β'-Phenyl fentanyl;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
O=C(CCc1ccccc1)N(C2CCN(CCc3ccccc3)CC2)c4ccccc4
Molecular Formula
C28H32N2O
Molecular Weight
412.57
InChI
InChI=1S/C28H32N2O/c31-28(17-16-24-10-4-1-5-11-24)30(26-14-8-3-9-15-26)27-19-22-29(23-20-27)21-18-25-12-6-2-7-13-25/h1-15,27H,16-23H2
Additionnal Information
IUPAC name: N,3-diphenyl-N-[1-(2-phenylethyl)-4-piperidyl]propanamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Phenylpropanoylfentanyl

beta'-Phenyl fentanyl is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Opiates substance.

CAS Number79279-02-0
PubChem CID137700126
IUPAC NameN,3-diphenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Molecular FormulaC28H32N2O
Molecular Weight412.6
XLogP5.5
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity509
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)CCC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C28H32N2O/c31-28(17-16-24-10-4-1-5-11-24)30(26-14-8-3-9-15-26)27-19-22-29(23-20-27)21-18-25-12-6-2-7-13-25/h1-15,27H,16-23H2
InChIKey
DIRAGWDYMRIDIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenylpropanoylfentanyl
CAS: 79279-02-0
CID: 137700126
Formula: C28H32N2O
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass412.251463648
Monoisotopic Mass412.251463648
Topological Polar Surface Area23.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity509
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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