LEVOMETHADYL ACETATE


Synonyms	LAA-M LAAM Levacetylmethadol Levo-alphacetylmethadol Levoacetyl methadol Levomethadyl acetate
Status
Molecule Category	UNKNOWN
UNII	R3B637Y991
EPA CompTox	DTXSID3023211


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XBMIVRRWGCYBTQ-AVRDEDQJSA-N
Smiles	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

Related Entries

Cross References

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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).