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Alvimopan Amide Hydrolyzed Metabolite

CAT: 1459-CS-O-03665Size: 1 EachDry Ice: NoHazardous: No
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Description
Alvimopan Amide Hydrolyzed Metabolite is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Alvimopan. The product is supplied by Clearsynth under CAT No. CS-O-03665. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
NULL
CAS Number
156130-41-5
Synonyms
Alvimopan Amide Hydrolyzed Metabolite
Molecular Formula
C 23 H 29 NO 3
Molecular Weight
367.48
Additionnal Information
Alvimopan Amide Hydrolyzed Metabolite is supplied with detailed characterization data compliant with regulatory guideline. Alvimopan Amide Hydrolyzed Metabolite can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Alvimopan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
NULL
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Adl-08-0011

an alvimopan metabolite; structure in first source

CAS Number156130-41-5
PubChem CID9951118
IUPAC Name(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoic acid
Molecular FormulaC23H29NO3
Molecular Weight367.5
XLogP2.3
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity490
SMILES
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C23H29NO3/c1-17-15-24(12-11-23(17,2)20-9-6-10-21(25)14-20)16-19(22(26)27)13-18-7-4-3-5-8-18/h3-10,14,17,19,25H,11-13,15-16H2,1-2H3,(H,26,27)/t17-,19-,23+/m0/s1
InChIKey
KSBSLJKYJXTATP-WCAVRKLYSA-N
Chemical Structure
2D Structure
2D structure of Adl-08-0011
CAS: 156130-41-5
CID: 9951118
Formula: C23H29NO3
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass367.21474379
Monoisotopic Mass367.21474379
Topological Polar Surface Area60.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity490
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes