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Laropiprant (MK0524) 200mg

CAT: 0628-A11483-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A11483-200Size:200 mg
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CAS Number
571170-77-9

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

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