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Naloxone Hydrochloride
CAS: 357-08-4 | C19H22ClNO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
357-08-4
Molecular Formula:
C19H22ClNO4
Molecular Mass:
363.84 g/mol
Names and Synonyms:
Naloxone Hydrochloride
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, hydrochloride (1:1), (5α)-
Morphinan-6-one, 17-allyl-4,5α-epoxy-3,14-dihydroxy-, hydrochloride
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, (5α)-
Normorphinone, N-allyl-7,8-dihydro-14-hydroxy-, hydrochloride
EN 1530
(-)-N-Allyl-14-hydroxynordihydromorphinone hydrochloride
Naloxone hydrochloride
(-)-Naloxone hydrochloride
Narcan
l-Naloxone hydrochloride
Nalonee
N-Allyldihydro-14-hydroxynormorphinone hydrochloride
NIH 7890
EN 15304
Narcanti
Nalone
Narcoxone
Identifiers:
SMILES:
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
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
Key Properties
Melting Point
200-205 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.84 g/mol | CAS Common Chemistry |
| 363.84100000000007 g/mol | RDKit | |
| 363.12373586399997 g/mol | RDKit | |
| 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 |
| LogP | 1.7231999999999998 | RDKit |
| Molar Refractivity | 94.51860000000003 | RDKit |
