METARAMINOL BITARTRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ZC4202M9P3
EPA CompTox DTXSID1045580
Parent Compound: METARAMINOL

Structure

InChI Key VENXSELNXQXCNT-YDYUUSCQSA-N
Smiles C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO8
Molecular Weight 317.29
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

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 92.1-98.68
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 92.1-98.68

Target Conservation

Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
CAS NUMBER 33402-03-8
ChEMBL CHEMBL2062262
FDA SRS ZC4202M9P3
PubChem 441414
SureChEMBL SCHEMBL5564262
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