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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H26ClNO5
Molecular Weight 431.909
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RALINEPAG

SMILES

OC(=O)COC[C@H]1CC[C@H](COC(=O)N(C2=CC=CC=C2)C3=CC=C(Cl)C=C3)CC1

InChI

InChIKey=NPDKXVKJRHPDQT-IYARVYRRSA-N
InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18-

HIDE SMILES / InChI

Molecular Formula C23H26ClNO5
Molecular Weight 431.909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:18 UTC 2023
Edited
by admin
on Sat Dec 16 10:04:18 UTC 2023
Record UNII
CQY12ZJN6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RALINEPAG
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
RALINEPAG [USAN]
Common Name English
2-[[trans-4-[[[(4-Chlorophenyl)(phenyl)carbamoyl]oxy]methyl]cyclohexyl]methoxy]acetic acid
Systematic Name English
APD811
Code English
Ralinepag [WHO-DD]
Common Name English
ACETIC ACID, 2-((TRANS-4-(((((4-CHLOROPHENYL)PHENYLAMINO)CARBONYL)OXY)METHYL)CYCLOHEXYL)METHOXY)-
Systematic Name English
ralinepag [INN]
Common Name English
APD-811
Code English
Classification Tree Code System Code
EU-Orphan Drug EU/3/18/2130
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
FDA ORPHAN DRUG 440214
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
NCI_THESAURUS C29707
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
Code System Code Type Description
CAS
1187856-49-0
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
SMS_ID
100000177897
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
INN
10029
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
NCI_THESAURUS
C152148
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL3301604
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
EVMPD
SUB193414
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
FDA UNII
CQY12ZJN6E
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
USAN
BC-39
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
PUBCHEM
44219292
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
DRUG BANK
DB12462
Created by admin on Sat Dec 16 10:04:18 UTC 2023 , Edited by admin on Sat Dec 16 10:04:18 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY