DIACETYLMORPHINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 70D95007SX

Structure
InChI Key GVGLGOZIDCSQPN-PVHGPHFFSA-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
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23NO5
Molecular Weight 369.42
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

Pharmacology

Action Mechanism of Action Reference
AGONIST Mu opioid receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heroin Dependence 3 D006556 ClinicalTrials
Opioid-Related Disorders 3 D009293 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 27808
ChEMBL CHEMBL459324
DrugBank DB01452
DrugCentral 4412
EPA CompTox DTXSID6046761
FDA SRS 70D95007SX
Guide to Pharmacology 9082
KEGG C06534
PharmGKB PA452619
SureChEMBL SCHEMBL35150
ZINC ZINC000004097183
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