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Molecule
Naloxone Hydrochloride
CAS: 357-08-4 · C19H22ClNO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 357-08-4
- Molecular Formula
- C19H22ClNO4
- Molecular Mass
- 363.84 g/mol
Identifiers
CAS Registry Number
357-08-4
SMILES
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
InChI Key
RGPDIGOSVORSAK-STHHAXOLSA-N
InChI
InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1
Names and Synonyms
- Naloxone Hydrochloride Common Name
- Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, hydrochloride (1:1), (5α)- Synonym
- Morphinan-6-one, 17-allyl-4,5α-epoxy-3,14-dihydroxy-, hydrochloride Synonym
- Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, (5α)- Synonym
- Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, hydrochloride Synonym
- EN 1530 Synonym
- (-)-N-Allyl-14-hydroxynordihydromorphinone hydrochloride Synonym
- Naloxone hydrochloride Synonym
- (-)-Naloxone hydrochloride Synonym
- Narcan Synonym
- l-Naloxone hydrochloride Synonym
- Nalonee Synonym
- N-Allyldihydro-14-hydroxynormorphinone hydrochloride Synonym
- NIH 7890 Synonym
- EN 15304 Synonym
- Narcanti Synonym
- Nalone Synonym
- Narcoxone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.84 g/mol | CAS Common Chemistry |
| 363.84100000000007 g/mol | RDKit | |
| 363.841 g/mol | RDKit | |
| 363.838 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C1CCC2(O)C3N(CC=C)CCC42C5=C(OC14)C(O)=CC=C5C3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RGPDIGOSVORSAK-STHHAXOLSA-N | CAS Common Chemistry |
| Melting Point | 200-205 °C | CAS Common Chemistry |
| Name | Naloxone hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.0 Ų | RDKit |
| 69.77 Ų | chempirical lib | |
| LogP | 1.7231999999999998 | RDKit |
| 1.7232 | RDKit | |
| Molar Refractivity | 94.51860000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5263 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 363.12373586399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 363.84 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H22ClNO4.
