Maropitant

CAT: 0127-BUP15464-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15464-05Size:100 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 Number	147116-67-4
PubChem CID	204108
IUPAC Name	(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular Formula	C32H40N2O
Molecular Weight	468.7
XLogP	7
Topological Polar Surface Area	24.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	620

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

CAS: 147116-67-4

CID: 204108

Formula: C32H40N2O

MW: 468.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	468.7
XLogP3	7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	468.314063904
Monoisotopic Mass	468.314063904
Topological Polar Surface Area	24.5 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	620
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-10053-01	Maropitant
HY-10053S-01	Maropitant-d3
HY-10053B	Maropitant (citrate)
A21473-10	Maropitant 10mg
GTR19192180-01	Maropitant citrate
HY-10053R-01	Maropitant (Standard)
A21473-200	Maropitant 200mg
A21473-5	Maropitant 5mg
A21473-2	Maropitant 2mg

Maropitant

Chemical Information

Alternative Products

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