Nalbuphine

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Systematic / IUPAC Name: 17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol

ID: Reference2410

Other Names: N-Cyclobutylmethyl-14-hydroxydihydronormorphine;
Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-

Formula: C21H27NO4

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

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/10/2015 3:39:40 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2
InChI Key NETZHAKZCGBWSS-UHFFFAOYSA-N
Canonical SMILES C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O
CAS
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Other Names N-Cyclobutylmethyl-14-hydroxydihydronormorphine;
Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-

In Other Databases

Wikipedia Nalbuphine
PubChem 4419
ChemSpider 4266