METARAMINOL


Synonyms	Metaraminol
Status
Molecule Category	Free-form
ATC	C01CA09
UNII	818U2PZ2EH
EPA CompTox	DTXSID8023268


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

Structure


InChI Key	WXFIGDLSSYIKKV-RCOVLWMOSA-N
Smiles	C[C@H](N)[C@H](O)c1cccc(O)c1
InChI	InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H13NO2
Molecular Weight	167.21
AlogP	0.77
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	66.48
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Related Entries

Cross References

Resources	Reference
ChEBI	6794
ChEMBL	CHEMBL1201319
DrugBank	DB00610
DrugCentral	1721
FDA SRS	818U2PZ2EH
Human Metabolome Database	HMDB0014748
Guide to Pharmacology	7229
KEGG	C07146
PharmGKB	PA164748761
PubChem	5906
SureChEMBL	SCHEMBL136778
ZINC	ZINC000000001695

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).