Naltrexone

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Systematic / IUPAC Name: (5α)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one

ID: Reference816

Other Names: N-Cyclopropylmethylnoroxymorphone;
N-Cyclopropylmethyl-14-hydroxydihydromorphinone;
17-(Cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxymorphinan-6-one;
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-α-epoxy-3,14-dihydroxy-;
3,14-Dihydroxy-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-6-one ; more

Formula: C20H23NO4

Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs

Spectral Data

Naltrexone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 423
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/26/2017 7:40:48 AM
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Identificators

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
InChI Key DQCKKXVULJGBQN-XFWGSAIBSA-N
Canonical SMILES C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O
CAS 16590413
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Other Names N-Cyclopropylmethylnoroxymorphone;
N-Cyclopropylmethyl-14-hydroxydihydromorphinone;
17-(Cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxymorphinan-6-one;
Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-α-epoxy-3,14-dihydroxy-;
3,14-Dihydroxy-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-6-one;
Celupan;
Vivitrex;
Vivitrol;
Revia

In Other Databases

ChEMBL CHEMBL19019
ChemSpider 4514524
ChEBI CHEBI:7465
HMDb HMDB14842
Wikipedia Naltrexone
PubChem 5360515
ChemIDPlus 016590413
KEGG C07253; D05113
DrugBank APRD00005