6β-Naltrexol
6β-Naltrexol Structure
Systematic / IUPAC Name: (5α,6β)-17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6,14-triol
ID: Reference7318
Other Names:
β-Naltrexol;
N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynorisomorphine;
17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6β,14-triol;
4-Cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,14,17-triol;
6β-Hydroxynaltrexone
; more
Formula: C20H25NO4
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs Endogenous Metabolites
Spectral Data
6β-Naltrexol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 229 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/7/2018 11:21:36 AM |
Identificators
| InChI | InChI=1S/C20H25NO4/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/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1 |
| InChI Key | JLVNEHKORQFVQJ-PYIJOLGTSA-N |
| Canonical SMILES | C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O |
| CAS | 49625890 |
| Splash | |
| Other Names |
β-Naltrexol; N-Cyclopropylmethyl-7,8-dihydro-14-hydroxynorisomorphine; 17-(Cyclopropylmethyl)-4,5-epoxymorphinan-3,6β,14-triol; 4-Cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,14,17-triol; 6β-Hydroxynaltrexone; Morphinan-3,6,14-triol, 17-(cyclopropylmethyl)-4,5-epoxy, (5α,6β)-; (4R,4aS,7R,7aR,12bS)-3-(Cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-E]isoquinoline-4a,7,9-triol |
In Other Databases
| ChEMBL | CHEMBL140278 |
| ChemIDPlus | 049625890 |
| PubChem | 5486554 |
| Wikipedia | 6ß-Naltrexol |
| ChemSpider | 4588965 |