Maropitant citrateProduct ingredient for Maropitant
- Name
- Maropitant citrate
- Drug Entry
- Maropitant
Maropitant, used as maropitant citrate, is a neurokinin receptor antagonist, which was developed by Zoetis specifically for the treatment of motion sickness and vomiting in dogs. It was approved by the FDA in 2007 for use in dogs, and more recently has also been approved for use in cats.
- Accession Number
- DBSALT001715
- Structure
Structure for Maropitant citrate (DBSALT001715)
- Synonyms
- Maropitant citrate monohydrate
- External IDs
- CJ-11,972 / CJ-11972
- UNII
- LXN6S3999X
- CAS Number
- 359875-09-5
- Weight
- Average: 678.823
Monoisotopic: 678.351631198 - Chemical Formula
- C38H50N2O9
- InChI Key
- PGVSXRHFXJOMGW-YBZGWEFGSA-N
- InChI
- InChI=1S/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1
- IUPAC Name
- (2S,3S)-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxypropane-1,2,3-tricarboxylic acid hydrate
- SMILES
- O.OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=CC=C(C=C1CN[C@H]1C2CCN(CC2)[C@H]1C(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C
- External Links
- ChemSpider
- 176804
- ChEMBL
- CHEMBL2107353
- Predicted Properties
Property Value Source Water Solubility 6.27e-05 mg/mL ALOGPS logP 6.27 ALOGPS logP 6.87 Chemaxon logS -6.9 ALOGPS pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 24.5 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 146.01 m3·mol-1 Chemaxon Polarizability 54.98 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon