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ADL 08-0011 HCl

CAT: 0013-GTR19209720Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209720Size:10 mg
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Description
ADL 08-0011 is a potent and selective μ-opioid receptor antagonist formed by gut microbiota metabolism of alvimopan. It demonstrates high affinity (Ki = 0.25 nM) and functional antagonism in vitro (pA2 = 9.4 in guinea pig ileum) and effectively reverses opioid-induced delayed gastric emptying in vivo in rodent models.
CAS Number
170098-43-8
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.C[C@H]1CN (C[C@H] (Cc2ccccc2) C (O) =O) CC[C@@]1 (C) c1cccc (O) c1
Molecular Formula
C23H30ClNO3
Molecular Weight
403.947
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ADL 08-0011 (hydrochloride)
CAS Number170098-43-8
PubChem CID67541929
IUPAC Name(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoic acid;hydrochloride
Molecular FormulaC23H30ClNO3
Molecular Weight403.9
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
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.Cl
InChI
InChI=1S/C23H29NO3.ClH/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);1H/t17-,19-,23+;/m0./s1
InChIKey
GHNZFXKSUXOYEJ-HWHKPKNSSA-N
Chemical Structure
2D Structure
2D structure of ADL 08-0011 (hydrochloride)
CAS: 170098-43-8
CID: 67541929
Formula: C23H30ClNO3
MW: 403.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass403.1914215
Monoisotopic Mass403.1914215
Topological Polar Surface Area60.8 Ų
Heavy Atom Count28
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 Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T20081-01ADL-08-0011
TRC-A291800-50MGADL 08-0011
sc-480722ADL 08-0011-d5
464930ADL 08-0011 HCl
AR-A06072-01Alvimopan Metabolite 1-d5 (ADL 08-0011-d5)
AR-A06077-01Alvimopan Metabolite 1 HCl (ADL 08-0011 HCl)
MBS5814024NS-0011
HY-179390KMCA-0011
T131212-01Compound N062-0011
T131368-01Compound N008-0011

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