LEVOMETHADYL ACETATE

Search structure
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R3B637Y991

Structure
InChI Key XBMIVRRWGCYBTQ-AVRDEDQJSA-N
Smile CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H31NO2
Molecular Weight 353.51
AlogP 4.65
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2188 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Opioid-Related Disorders 2 D009293 ClinicalTrials

Cross References

Resources Reference
ChEBI 6441
ChEMBL CHEMBL1514
DrugBank DB01227
DrugCentral 1571
EPA CompTox DTXSID3023211
FDA SRS R3B637Y991
Human Metabolome Database HMDB0015358
Guide to Pharmacology 7212
KEGG C08012
PharmGKB PA450215
PubChem 15130
SureChEMBL SCHEMBL93805
ZINC ZINC000001530967
CONTENTS