DIACETYLMORPHINE

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Synonyms
Status
Molecule Category Free-form
UNII 70D95007SX
EPA CompTox DTXSID6046761

Structure

InChI Key GVGLGOZIDCSQPN-PVHGPHFFSA-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
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
Number of Rotational Bond 2.0
Polar Surface Area 65.07
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor agonist AGONIST FDA

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038

Cross References

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