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Naltrexone hydrochloride

CAT: 0931-T0963-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T0963-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16676-29-2
Target
Opioid Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Endocrinology/Hormones
Purity
>99.99%
Bioactivity
Naltrexone hydrochloride (Naltrexone HCl) is a synthetic opioid antagonist used in the prevention of relapse of opiate addiction and alcoholism.
Smiles
Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Molecular Formula
C20H24ClNO4
Molecular Weight
377.862
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Naltrexone Hydrochloride

Naltrexone hydrochloride is a hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a -opioid receptor antagonist that is used to treat alcohol dependence. It has a role as a central nervous system depressant, a mu-opioid receptor antagonist and an antidote to opioid poisoning. It contains a naltrexone(1+).

CAS Number16676-29-2
PubChem CID5485201
IUPAC Name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Molecular FormulaC20H24ClNO4
Molecular Weight377.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity621
SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl
InChI
InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1
InChIKey
RHBRMCOKKKZVRY-ITLPAZOVSA-N
Chemical Structure
2D Structure
2D structure of Naltrexone Hydrochloride
CAS: 16676-29-2
CID: 5485201
Formula: C20H24ClNO4
MW: 377.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass377.1393859
Monoisotopic Mass377.1393859
Topological Polar Surface Area70 Ų
Heavy Atom Count26
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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