Butorphanol

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Systematic / IUPAC Name: 17-(Cyclobutylmethyl)morphinan-3,14-diol

ID: Reference1948

Other Names: Morphinan-3,14-diol, 17-(cyclobutylmethyl)-;
(-)-N-Cyclobutylmethyl-3,14-dihydroxymorphinan

Formula: C21H29NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Butorphanol 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 1:53:59 PM
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Identificators

InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
InChI Key IFKLAQQSCNILHL-QHAWAJNXSA-N
Canonical SMILES C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
CAS 42408822
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Other Names Morphinan-3,14-diol, 17-(cyclobutylmethyl)-;
(-)-N-Cyclobutylmethyl-3,14-dihydroxymorphinan

In Other Databases

ChEMBL CHEMBL33986
ChemSpider 16735714
Wikipedia Butorphanol
KEGG C06863; D03197
ChEBI CHEBI:3242
PubChem 5361092