3-Acetylmorphine

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Systematic / IUPAC Name: [(4R,4aR,7S,7aR,12bS)-7-Hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-E]isoquinoline-9-yl] acetate

ID: Reference6321

Other Names: 3-Monoacetylmorphine;
3-O-Acetylmorphine ;
Morphine, 3-acetate;
O(3)-Monoacetylmorphine ;
(5α,6α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl acetate

Formula: C19H21NO4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

3-Acetylmorphine 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 92
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/21/2017 2:24:29 PM
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Identificators

InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
InChI Key GMLREHXYJDLZOU-LEPYJNQMSA-N
Canonical SMILES CC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1
CAS 5140283
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Other Names 3-Monoacetylmorphine;
3-O-Acetylmorphine ;
Morphine, 3-acetate;
O(3)-Monoacetylmorphine ;
(5α,6α)-6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl acetate;
3-MAM

In Other Databases

PubChem 5462504
Wikipedia 3-Monoacetylmorphine
ChemSpider 4575431
KEGG C11778
ChEBI CHEBI:1445
ChemIDPlus 029593268