DIACETYLMORPHINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 8H672SHT8E
EPA CompTox DTXSID2048909

Structure

InChI Key FZJYQGFGNHGSFX-PVQKIFDLSA-N
Smiles CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.Cl
InChI
InChI=1S/C21H23NO5.ClH/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;1H/t14-,15+,17-,20-,21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClNO5
Molecular Weight 405.88
AlogP 1.99
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 65.07
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Cross References

Resources Reference
ChEMBL CHEMBL2106627
FDA SRS 8H672SHT8E
SureChEMBL SCHEMBL116481
CONTENTS