DIACETYLMORPHINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8H672SHT8E

Structure
InChI Key FZJYQGFGNHGSFX-PVQKIFDLSA-N
Smile CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 65.07
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106627
EPA CompTox DTXSID2048909
FDA SRS 8H672SHT8E
SureChEMBL SCHEMBL116481
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