Norbuprenorphine

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Systematic / IUPAC Name: (5α,6β,14β,18R)-18-[(2S)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

ID: Reference2475

Other Names: N-Desalkylbuprenorphine;
Des(cyclopropylmethyl)buprenorphine;
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy, (5α,6β,14β,18R)-;
6,14-Ethenomorphinan-7-methanol, α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl, [5α,7α(S)]-

Formula: C25H35NO4

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

Spectral Data

Norbuprenorphine 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 3/17/2015 3:39:26 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1
InChI Key YOYLLRBMGQRFTN-IOMBULRVSA-N
Canonical SMILES CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)O)O4)OC)O
CAS 78715238
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Other Names N-Desalkylbuprenorphine;
Des(cyclopropylmethyl)buprenorphine;
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy, (5α,6β,14β,18R)-;
6,14-Ethenomorphinan-7-methanol, α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl, [5α,7α(S)]-

In Other Databases

ChemSpider 102911
ChEMBL CHEMBL1743323
HMDb HMDB60546
PubChem 114976
ChemIDPlus 078715238
Wikipedia Norbuprenorphine