Heroin

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Systematic / IUPAC Name: 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate

ID: Reference733

Other Names: 3,6-Diacetylmorphine;
3,6-O-Diacetylmorphine ;
Acetomorfine;
Acetomorphine;
Amsterdam marble ; more

Formula: C21H23NO5

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Heroin 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 Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 367
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/21/2017 12:46:04 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1
InChI Key GVGLGOZIDCSQPN-PVHGPHFFSA-N
Canonical SMILES
CAS 561273
Splash
Other Names 3,6-Diacetylmorphine;
3,6-O-Diacetylmorphine ;
Acetomorfine;
Acetomorphine;
Amsterdam marble;
Aspron;
Diacephin;
Diacetylmorfin;
Diacetylmorphine;
Diamorfina;
Diamorphine;
Diaphorm;
Diasetilmorfin;
Eroina;
Heroien;
Herolan;
Indian pink;
Iroini;
Malaysian pink;
Mexican brown;
Morphacetin;
Morphine diacetate;
Penang pink;
Persian brown;
Preza;
Smack;
(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester);
17-Methyl-7,8-didehydro-4,5α-epoxymorphinan-3,6α-diyl diacetate;
7,8-Dihydro-4,5-α-epoxy-17-methylmorphinan-3,6-α-diol diacetate;
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetate (ester), (5α,6α)-

In Other Databases

ChemSpider 4575379
ChemIDPlus 000561273
Wikipedia Heroin
KEGG C06534; D07286
ChEBI CHEBI:27808
ChEMBL CHEMBL459324
PubChem 5462328