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Details

Stereochemistry ACHIRAL
Molecular Formula C19H21N3O2
Molecular Weight 323.3889
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALCAFTADINE CARBOXYLIC ACID

SMILES

CN1CCC(CC1)=C2C3=NC=C(N3CCC4=C2C=CC=C4)C(O)=O

InChI

InChIKey=HGWYFQCFNPVJKM-UHFFFAOYSA-N
InChI=1S/C19H21N3O2/c1-21-9-6-14(7-10-21)17-15-5-3-2-4-13(15)8-11-22-16(19(23)24)12-20-18(17)22/h2-5,12H,6-11H2,1H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C19H21N3O2
Molecular Weight 323.3889
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:48:45 GMT 2023
Edited
by admin
on Sat Dec 16 08:48:45 GMT 2023
Record UNII
T50E484899
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALCAFTADINE CARBOXYLIC ACID
Common Name English
5H-IMIDAZO(2,1-B)(3)BENZAZEPINE-3-CARBOXYLIC ACID, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40598456
Created by admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
PRIMARY
PUBCHEM
19371526
Created by admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
PRIMARY
CAS
147083-93-0
Created by admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
PRIMARY
FDA UNII
T50E484899
Created by admin on Sat Dec 16 08:48:45 GMT 2023 , Edited by admin on Sat Dec 16 08:48:45 GMT 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
Related Record Type Details
PARENT -> METABOLITE
by one or more cytosolic enzymes
MAJOR
PLASMA
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC topical ocular administration

Tmax PHARMACOKINETIC bilateral topical ocular administration of 0.25% alcaftadine ophthalmic solution