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Laropiprant

CAT: 0013-GTR19153660-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153660-01Size:100 mg
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Description
MK 0524 is a potent, selective DP1 receptor antagonist with Ki values of 0.57 nM and 0.75 μM for the DP1 and DP2 receptors, respectively.
CAS Number
571170-77-9
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
O=C (O) C[C@H]1CCC2=C1N (CC3=CC=C (Cl) C=C3) C4=C2C=C (F) C=C4S (=O) (C) =O
Molecular Formula
C21H19CLFNO4S
Molecular Weight
435.896
Notes
For research use only.

Chemical Information

Laropiprant

Laropiprant is an indolyl carboxylic acid.

CAS Number571170-77-9
PubChem CID9867642
IUPAC Name2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular FormulaC21H19ClFNO4S
Molecular Weight435.9
XLogP3.5
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity721
SMILES
CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
InChIKey
NXFFJDQHYLNEJK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Laropiprant
CAS: 571170-77-9
CID: 9867642
Formula: C21H19ClFNO4S
MW: 435.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass435.0707351
Monoisotopic Mass435.0707351
Topological Polar Surface Area84.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity721
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
7343/10Laropiprant
T69967-01Laropiprant analog
T64267-01Laropiprant sodium
HY-50175ALaropiprant (sodium)
A11483-50Laropiprant 50mg
A11483-10Laropiprant 10mg
A11483-5Laropiprant 5mg
AR-L01209-01R-Laropiprant

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