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Phenampromide malate

CAT: 0013-GTR19241611-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241611-02Size:50 mg
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Description
Phenampromide malate is a synthetic opioid analgesic structurally related to isomethadone. It is used in pharmacological research to study opioid receptor interactions and analgesic mechanisms in both in vitro binding assays and in vivo animal models.
CAS Number
115231-10-2
Smiles
O=C (O) CC (O) C (=O) O.O=C (N (C=1C=CC=CC1) C (C) CN2CCCCC2) CC
Molecular Formula
C21H32N2O6
Molecular Weight
408.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenampromide malate
CAS Number115231-10-2
PubChem CID155491263
IUPAC Name2-hydroxybutanedioic acid;N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide
Molecular FormulaC21H32N2O6
Molecular Weight408.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity422
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCCCC2.C(C(C(=O)O)O)C(=O)O
InChI
InChI=1S/C17H26N2O.C4H6O5/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;5-2(4(8)9)1-3(6)7/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)
InChIKey
NOPCCURPBPYHNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenampromide malate
CAS: 115231-10-2
CID: 155491263
Formula: C21H32N2O6
MW: 408.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass408.22603674
Monoisotopic Mass408.22603674
Topological Polar Surface Area118 Ų
Heavy Atom Count29
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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