Structure

InChI Key MMMNTDFSPSQXJP-UHFFFAOYSA-N
Smile Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO8
Molecular Weight 461.51
AlogP 3.66
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Glutamate [NMDA] receptor antagonist PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
16.38
Psychiatric disorders
11.86
Respiratory, thoracic and mediastinal disorders
10.73
General disorders and administration site conditions
9.6
Injury, poisoning and procedural complications
8.47
Skin and subcutaneous tissue disorders
7.91
Cardiac disorders
6.78
Immune system disorders
6.21
Vascular disorders
5.08
Gastrointestinal disorders
3.95
Reproductive system and breast disorders
3.95
Musculoskeletal and connective tissue disorders
3.39

Cross References

Resources Reference
ChEBI 7790
ChEMBL CHEMBL1200395
EPA CompTox DTXSID8044678
FDA SRS X0A40N8I4S
PubChem 83823
SureChEMBL SCHEMBL119470