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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30ClFN4O4
Molecular Weight 492.971
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RELENOPRIDE

SMILES

COC1=C(C=C(Cl)C(N)=C1)C(=O)NCC2CCN(CC[C@H](OC(N)=O)C3=CC=C(F)C=C3)CC2

InChI

InChIKey=KGMMSPVVHZGPHL-NRFANRHFSA-N
InChI=1S/C24H30ClFN4O4/c1-33-22-13-20(27)19(25)12-18(22)23(31)29-14-15-6-9-30(10-7-15)11-8-21(34-24(28)32)16-2-4-17(26)5-3-16/h2-5,12-13,15,21H,6-11,14,27H2,1H3,(H2,28,32)(H,29,31)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30ClFN4O4
Molecular Weight 492.971
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 21:16:42 UTC 2023
Edited
by admin
on Fri Dec 15 21:16:42 UTC 2023
Record UNII
SIS5BFO4WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RELENOPRIDE
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
RELENOPRIDE [USAN]
Common Name English
BENZAMIDE, 4-AMINO-N-((1-((3S)-3-((AMINOCARBONYL)OXY)-3-(4-FLUOROPHENYL)PROPYL)-4-PIPERIDINYL)METHYL)-5-CHLORO-2-METHOXY-
Systematic Name English
YKP-10811
Code English
YKP10811
Code English
(1S)-3-{4-[(4-Amino-5-chloro-2-methoxybenzamido)methyl]piperidin-1-yl}-1-(4-fluorophenyl)propyl carbamate
Systematic Name English
Relenopride [WHO-DD]
Common Name English
relenopride [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47794
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C152177
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
INN
9919
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
USAN
CD-75
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
DRUG BANK
DB12798
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
PUBCHEM
45275554
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
CAS
1221416-43-8
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
SMS_ID
300000034311
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID50153530
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
FDA UNII
SIS5BFO4WL
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544975
Created by admin on Fri Dec 15 21:16:43 UTC 2023 , Edited by admin on Fri Dec 15 21:16:43 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY