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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H30N4O2
Molecular Weight 454.5634
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of FUPRAZOLE

SMILES

O=C(CCN1C(CN2CCN(CC=CC3=CC=CC=C3)CC2)=NC4=C1C=CC=C4)C5=CC=CO5

InChI

InChIKey=HMTJIKVWJRSKMY-POHAHGRESA-N
InChI=1S/C28H30N4O2/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23/h1-13,21H,14-20,22H2/b10-6-

HIDE SMILES / InChI

Molecular Formula C28H30N4O2
Molecular Weight 454.5634
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:37:27 GMT 2023
Edited
by admin
on Fri Dec 15 16:37:27 GMT 2023
Record UNII
47JUM7D622
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUPRAZOLE
INN  
INN  
Official Name English
fuprazole [INN]
Common Name English
3-(2-((4-CINNAMYL-1-PIPERAZINYL)METHYL)-1-BENZIMIDAZOLYL)-1-(2-FURYL)-1-PROPANONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
Code System Code Type Description
CAS
60248-23-9
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
INN
4417
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
EVMPD
SUB07827MIG
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
SMS_ID
100000080673
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
FDA UNII
47JUM7D622
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
NCI_THESAURUS
C65778
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID10208994
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
262-123-8
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107169
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
PUBCHEM
68798
Created by admin on Fri Dec 15 16:37:27 GMT 2023 , Edited by admin on Fri Dec 15 16:37:27 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY