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Naloxone N-Oxide

CAT: 0572-TRC-N285030-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N285030-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112242-14-5
Synonyms
Naloxone N-Oxide; (5alpha)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-one 17-oxide; (5α)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-one 17-oxide
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Oc1ccc2C[C@@H]3[C@]4(O)CCC(=O)[C@@H]5Oc1c2[C@]45CC[N+]3([O-])CC=C
Molecular Formula
C19 H21 N O5
Molecular Weight
343.37
InChI
InChI=1S/C19H21NO5/c1-2-8-20(24)9-7-18-15-11-3-4-12(21)16(15)25-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-,20?/m1/s1
Additionnal Information
IUPAC name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-oxido-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Naloxone N-Oxide
CAS Number112242-14-5
PubChem CID14099368
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-oxido-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
Molecular FormulaC19H21NO5
Molecular Weight343.4
XLogP0.9
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity639
SMILES
C=CC[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)[O-]
InChI
InChI=1S/C19H21NO5/c1-2-8-20(24)9-7-18-15-11-3-4-12(21)16(15)25-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-,20?/m1/s1
InChIKey
GAUIBVINJLVYRY-QBFPIVRFSA-N
Chemical Structure
2D Structure
2D structure of Naloxone N-Oxide
CAS: 112242-14-5
CID: 14099368
Formula: C19H21NO5
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass343.14197277
Monoisotopic Mass343.14197277
Topological Polar Surface Area84.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MEA24214-01Naloxone N-oxide
460514-01Naloxone N-Oxide discontinued
460522-01Naloxone-d5 N-Oxide discontinued
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460516Naloxone N-Oxide (100μg/mL in 1:1 Acetonitrile and water solution) discontinued
CS-O-44445N-Nitroso Naloxone EP impurity A
CS-O-62362N-Nitroso Naloxone EP Impurity E
FN61467-01Naloxone
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