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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C27H26F3N3O2.3C4H4O4
Molecular Weight 1311.2354
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of AFACIFENACIN SESQUIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.FC(F)(F)OC1=CC(CN2CCC(CC2)N3[C@@H](C4=CC=CC=C4)C5=C(NC3=O)C=CC=C5)=CC=C1.FC(F)(F)OC6=CC(CN7CCC(CC7)N8[C@@H](C9=CC=CC=C9)C%10=C(NC8=O)C=CC=C%10)=CC=C6

InChI

InChIKey=WOIRJIDJKVWHJX-CVZQVWBPSA-N
InChI=1S/2C27H26F3N3O2.3C4H4O4/c2*28-27(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;3*5-3(6)1-2-4(7)8/h2*1-12,17,21,25H,13-16,18H2,(H,31,34);3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*25-;;;/m00.../s1

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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 15:47:00 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:00 GMT 2023
Record UNII
V6IS459I5G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFACIFENACIN SESQUIFUMARATE
Common Name English
2(1H)-QUINAZOLINONE, 3,4-DIHYDRO-4-PHENYL-3-(1-((3-(TRIFLUOROMETHOXY)PHENYL)METHYL)-4-PIPERIDINYL)-, (4S)-, (2E)-2-BUTENEDIOATE (2:3)
Systematic Name English
Code System Code Type Description
PUBCHEM
133082921
Created by admin on Fri Dec 15 15:47:00 GMT 2023 , Edited by admin on Fri Dec 15 15:47:00 GMT 2023
PRIMARY
CAS
500593-73-7
Created by admin on Fri Dec 15 15:47:00 GMT 2023 , Edited by admin on Fri Dec 15 15:47:00 GMT 2023
PRIMARY
FDA UNII
V6IS459I5G
Created by admin on Fri Dec 15 15:47:00 GMT 2023 , Edited by admin on Fri Dec 15 15:47:00 GMT 2023
PRIMARY
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