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Burapitant

CAT: 0013-GTR19210785-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210785-04Size:50 mg
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Description
Burapitant (SSR 240600) is a selective, non-peptide antagonist of the neurokinin 1 (NK1) receptor. It has demonstrated anti-coke oven and antidepressant-like effects in preclinical models, supporting its use in neuroscience research for studying stress-related and affective disorders in both in vitro and in vivo experimental systems.
CAS Number
537034-22-3
Product Name Alternative
Burapitant, Neurokininreceptor, Neurokinin receptor, NK1, SSR240600, SSR-240600, SSR 240600
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
>99.99% (May vary between batches)
Smiles
C (CN1CCC (C (C (N) =O) (C) C) CC1) [C@]2 (CN (C (CC3=CC (C (F) (F) F) =CC (C (F) (F) F) =C3) =O) CCO2) C4=CC (Cl) =C (Cl) C=C4
Molecular Formula
C31H35Cl2F6N3O3
Molecular Weight
682.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ssr 240600

Burapitant is a small molecule drug. The usage of the INN stem '-pitant' in the name indicates that Burapitant is a neurokinin NK1​ (substance P) receptor antagonist. Burapitant has a monoisotopic molecular weight of 681.2 Da.

CAS Number537034-22-3
PubChem CID23649599
IUPAC Name2-[1-[2-[(2R)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
Molecular FormulaC31H35Cl2F6N3O3
Molecular Weight682.5
XLogP6.2
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1020
SMILES
CC(C)(C1CCN(CC1)CC[C@]2(CN(CCO2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl)C(=O)N
InChI
InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)/t29-/m0/s1
InChIKey
ZLNYUCXXSDDIFU-LJAQVGFWSA-N
Chemical Structure
2D Structure
2D structure of Ssr 240600
CAS: 537034-22-3
CID: 23649599
Formula: C31H35Cl2F6N3O3
MW: 682.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass681.1959663
Monoisotopic Mass681.1959663
Topological Polar Surface Area75.9 Ų
Heavy Atom Count45
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-14835-01Burapitant

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