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Naltrexone

CAT: 0572-TRC-N285745-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N285745-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16590-41-3
Synonyms
(-)-Naltrexone; 1-N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynormorphinone; Depotrex; EN 1639; N-Cyclopropylmethylnoroxymorphone; Naltrel; Naltrexone; Nemexin; Trexonil; UM 792; Vivitrex; Vivitrol; (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one; Morphinan-6-one, 17-(cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxy- (8CI)
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O
Molecular Formula
C20 H23 N O4
Molecular Weight
341.4
InChI
InChI=1S/C20H23NO4/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/t15-,18+,19+,20-/m1/s1
Additionnal Information
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]isoquinoline-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Naltrexone

Naltrexone is an organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A -opioid receptor antagonist, it is used to treat alcohol dependence. It has a role as a central nervous system depressant, a xenobiotic, a mu-opioid receptor antagonist, an environmental contaminant and an antidote to opioid poisoning. It is an organic heteropentacyclic compound, a member of cyclopropanes and a morphinane-like compound. It is a conjugate base of a naltrexone(1+).

CAS Number16590-41-3
PubChem CID5360515
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
Molecular FormulaC20H23NO4
Molecular Weight341.4
XLogP1.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity621
SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI
InChI=1S/C20H23NO4/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/t15-,18+,19+,20-/m1/s1
InChIKey
DQCKKXVULJGBQN-XFWGSAIBSA-N
Chemical Structure
2D Structure
2D structure of Naltrexone
CAS: 16590-41-3
CID: 5360515
Formula: C20H23NO4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass341.16270821
Monoisotopic Mass341.16270821
Topological Polar Surface Area70 Ų
Heavy Atom Count25
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 Count1
Compound Is CanonicalizedYes

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