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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19ClFNO4S
Molecular Weight 435.896
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAROPIPRANT

SMILES

CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C4=C(CC[C@@H]4CC(O)=O)C2=CC(F)=C1

InChI

InChIKey=NXFFJDQHYLNEJK-CYBMUJFWSA-N
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

HIDE SMILES / InChI
Molecular Formula C21H19ClFNO4S
Molecular Weight 435.896
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:40 UTC 2023
Record UNII
G7N11T8O78
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAROPIPRANT
DASH   EMA EPAR   INN   MART.   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
LAROPIPRANT [EMA EPAR]
Common Name English
LAROPIPRANT [MART.]
Common Name English
Laropiprant [WHO-DD]
Common Name English
LAROPIPRANT [MI]
Common Name English
CORDAPTIVE
Brand Name English
LAROPIPRANT [USAN]
Common Name English
laropiprant [INN]
Common Name English
CYCLOPENT(B)INDOLE-3-ACETIC ACID, 4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-, (3R)-
Common Name English
(-)-((3R)-4-(4-CHLOROBENZYL)-7-FLUORO-5-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROCYCLOPENTA(B)INDOL-3-YL)ACETIC ACID
Systematic Name English
MK-0524
Code English
Classification Tree Code System Code
NCI_THESAURUS C26170
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
Code System Code Type Description
MERCK INDEX
m6696
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY Merck Index
MESH
C518174
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
PUBCHEM
9867642
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
NCI_THESAURUS
C87372
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID60205756
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
SMS_ID
100000089640
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
DRUG CENTRAL
4326
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
CAS
571170-77-9
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
USAN
RR-81
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
FDA UNII
G7N11T8O78
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
WIKIPEDIA
LAROPIPRANT
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
DRUG BANK
DB11629
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
INN
8855
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL426559
Created by admin on Fri Dec 15 16:15:40 UTC 2023 , Edited by admin on Fri Dec 15 16:15:40 UTC 2023
PRIMARY
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PROSTAGLANDIN D2 RECEPTOR
TARGET -> INHIBITOR
Functional Assay cAMP Accumulation in platelets
IC50
Structure of LAROPIPRANT
EXCRETED UNCHANGED
URINE
PROSTAGLANDIN D2 RECEPTOR
TARGET -> INHIBITOR
Binding
Ki
Structure of LAROPIPRANT
EXCRETED UNCHANGED
MAJOR
FECAL
Related Record Type Details
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)CYCLOPENT(B)INDOLE-3-ACETATE)
METABOLITE -> PARENT
MAJOR
URINE
Structure of (3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXOCYCLOPENT(B)INDOLE-3-ACETIC ACID
METABOLITE -> PARENT
MINOR
URINE
Structure of (3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)-1-OXOCYCLOPENT(B)INDOLE-3-ACETIC ACID
METABOLITE -> PARENT
FECAL
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((3R)-4-((4-CHLOROPHENYL)METHYL)-7-FLUORO-1,2,3,4-TETRAHYDRO-5-(METHYLSULFONYL)CYCLOPENT(B)INDOLE-3-ACETATE)
METABOLITE -> PARENT
PLASMA
Related Record Type Details
Structure of LAROPIPRANT
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC P.O. ADMINISTRATION

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