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Maropitant

CAT: 0127-BUP15464-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15464-04Size:50 mg
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CAS Number
147116-67-4
Purity
=95%
Smiles
COc1ccc(cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)C(C)(C)C

Chemical Information

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.

CAS Number147116-67-4
PubChem CID204108
IUPAC Name(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular FormulaC32H40N2O
Molecular Weight468.7
XLogP7
Topological Polar Surface Area24.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity620
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H40N2O/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/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3/t30-,31-/m0/s1
InChIKey
OMPCVMLFFSQFIX-CONSDPRKSA-N
Chemical Structure
2D Structure
2D structure of Maropitant
CAS: 147116-67-4
CID: 204108
Formula: C32H40N2O
MW: 468.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.7
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass468.314063904
Monoisotopic Mass468.314063904
Topological Polar Surface Area24.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-10053-01Maropitant
HY-10053S-01Maropitant-d3
HY-10053BMaropitant (citrate)
A21473-10Maropitant 10mg
GTR19192180-01Maropitant citrate
HY-10053R-01Maropitant (Standard)
A21473-200Maropitant 200mg
A21473-5Maropitant 5mg
A21473-2Maropitant 2mg

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