ALCAFTADINE CARBOXYLIC ACID

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

Structure Search

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

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

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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


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					7Z8O94ECSX

ALCAFTADINE

PARENT -> METABOLITE

Comments:

by one or more cytosolic enzymes

Interaction Type:

MAJOR

Qualification:

PLASMA

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	topical ocular administration

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