Maropitant-d3
Basic information
- CAS
2124295-52-7- Standard SMILES
[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1- InChIKey
OMPCVMLFFSQFIX-RYPPIUNCSA-N- Molecular formula
- C32H40N2O
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 471.33289414
Names & identifiers
- Preferred name
- Maropitant-d3
- IUPAC
- (2S,3S)-2-benzhydryl-N-[[5-tert-butyl-2-(trideuteriomethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
- English name
- (2S,3S)-2-Benzhydryl-N-[5-tert-butyl-2-(Methoxy-d3)benzyl]quinuclidin-3-aMine
- Molecular formula
- C32H37D3N2O
- Molecular weight
- 471.691285334
Names & synonyms
Maropitant-d3HY-10053SCS-0371856(2S,3S)-2-Benzhydryl-N-[5-tert-butyl-2-(Methoxy-d3)benzyl]quinuclidin-3-aMine(2S-cis)-N-[[5-(1,1-DiMethylethyl)-2-(Methoxy-d3)phenyl]Methyl]-2-(diphenylMethyl)-1-azabicyclo[2.2.2]octan-3-aMine
Database identifiers
- CAS
2124295-52-7- PubChem CID
- 71749909
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 620
Chemistry & industry
Applications
UsesLabelled analogue of Maropitant, a neurokinin type 1 (NK-1) receptor antagonist. Recent studies show that Maropitant decreased the anesthetic requirements during visceral stimulation of the ovary and ovarian ligament in dogs.
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