U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H22Cl2N2O3
Molecular Weight 481.37
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-17156516

SMILES

COC1=CC=C(C=C1)N2N=C(C[C@H](C(O)=O)C3=CC=CC(C)=C3)C=C2C4=CC=C(Cl)C(Cl)=C4

InChI

InChIKey=UZCIUKFEIOCAOC-QFIPXVFZSA-N
InChI=1S/C26H22Cl2N2O3/c1-16-4-3-5-17(12-16)22(26(31)32)14-19-15-25(18-6-11-23(27)24(28)13-18)30(29-19)20-7-9-21(33-2)10-8-20/h3-13,15,22H,14H2,1-2H3,(H,31,32)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H22Cl2N2O3
Molecular Weight 481.37
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
3-[5-(3,4-Dichloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-2-m-tolyl-propionate (JNJ-17156516), a novel, potent, and selective cholecystokinin 1 receptor antagonist: in vitro and in vivo pharmacological comparison with dexloxiglumide.
2007 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:26 GMT 2023
Record UNII
1HXF46Y439
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-17156516
Common Name English
(+)-JNJ-17156516
Common Name English
(S)-3-(5-(3,4-DICHLOROPHENYL)-1-(4-METHOXYPHENYL)-1H-PYRAZOL-3-YL)-2-(3-METHYLPHENYL)PROPIONIC ACID
Systematic Name English
1H-PYRAZOLE-3-PROPANOIC ACID, 5-(3,4-DICHLOROPHENYL)-1-(4-METHOXYPHENYL)-.ALPHA.-(3-METHYLPHENYL)-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
1HXF46Y439
Created by admin on Sat Dec 16 08:33:26 GMT 2023 , Edited by admin on Sat Dec 16 08:33:26 GMT 2023
PRIMARY
PUBCHEM
11488979
Created by admin on Sat Dec 16 08:33:26 GMT 2023 , Edited by admin on Sat Dec 16 08:33:26 GMT 2023
PRIMARY
CAS
649551-06-4
Created by admin on Sat Dec 16 08:33:26 GMT 2023 , Edited by admin on Sat Dec 16 08:33:26 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY