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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H26F3N3O2
Molecular Weight 481.5094
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AFACIFENACIN

SMILES

FC(F)(F)OC1=CC(CN2CCC(CC2)N3[C@@H](C4=CC=CC=C4)C5=C(NC3=O)C=CC=C5)=CC=C1

InChI

InChIKey=IJUMFEAYOMCXAQ-VWLOTQADSA-N
InChI=1S/C27H26F3N3O2/c28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34/h1-12,17,21,25H,13-16,18H2,(H,31,34)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H26F3N3O2
Molecular Weight 481.5094
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Afacifenacin is being developed by Sumitomo Dainippon Pharma (formerly Dainippon Sumitomo Pharma) and Sunovion Pharmaceuticals as an orally administered therapy for overactive bladder and nocturia. Afacifenacin is a new antimuscarinic that possesses the dual pharmacological actions of non-selective muscarinic receptor antagonist and inhibition of the bladder afferent pathway through sodium-channel blockade. Afacifenacin is in Phase II clinical tirals for the treatment of Nocturia by Nippon Shinyaku.

Approval Year

PubMed

PubMed

TitleDatePubMed
Phase II drugs that target cholinergic receptors for the treatment of overactive bladder.
2014 Oct

Sample Use Guides

Overactive bladder: 20, 40, 80 and 120 mg/day, 8 weeks of treatment
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:42 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:42 UTC 2023
Record UNII
XQU62QZ74P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFACIFENACIN
INN  
INN  
Official Name English
NS-986
Code English
afacifenacin [INN]
Common Name English
2(1H)-QUINAZOLINONE, 3,4-DIHYDRO-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)-4-PIPERIDINYL)-, (4S)-
Systematic Name English
(4S)-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)PIPERIDIN-4-YL)-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
Code System Code Type Description
SMS_ID
100000174899
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
PUBCHEM
42647276
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
NCI_THESAURUS
C90741
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID10236616
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
INN
8791
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
CAS
877606-63-8
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545165
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
FDA UNII
XQU62QZ74P
Created by admin on Fri Dec 15 16:11:42 UTC 2023 , Edited by admin on Fri Dec 15 16:11:42 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY