ALCAFTADINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H21N3O
Molecular Weight	307.3895
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALCAFTADINE

Structure Search

SMILES

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

InChI

InChIKey=MWTBKTRZPHJQLH-UHFFFAOYSA-N

InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C19H21N3O
Molecular Weight	307.3895
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:35:50 UTC 2023` Edited by `admin` on `Fri Dec 15 16:35:50 UTC 2023`
Record UNII	7Z8O94ECSX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALCAFTADINE

Official Name

English

ALCAFTADINE [VANDF]

Common Name

English

ALCAFTADINE [USAN]

Common Name

English

LASTACAFT

Brand Name

English

R 89674

Code

English

Alcaftadine [WHO-DD]

Common Name

English

ALCAFTADINE [JAN]

Common Name

English

ALCAFTADINE [MART.]

Common Name

English

11-(1-Methylpiperidin-4-ylidene)-6,11-dihydro-5H-imidazolo[2,1-b][3]benzazepine-3-carbaldehyde

Systematic Name

English

5H-IMIDAZO(2,1-B)(3)BENZAZEPINE-3-CARBOXALDEHYDE, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-

Systematic Name

English

R-89674

Code

English

ALCAFTADINE [ORANGE BOOK]

Common Name

English

4-(1-METHYL-PIPERIDIN-4-YLIDENE)-9,10-DIHYDRO-4H-3,10A-DIAZA-BENZO(F)AZULENE-1-CARBALDEHYDE

Common Name

English

alcaftadine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

NDF-RT

N0000175587

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

WHO-ATC

S01GX11

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

WHO-VATC

QS01GX11

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

Code System Code Type Description

CAS

147084-10-4

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL1201747

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID80598455

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

FDA UNII

7Z8O94ECSX

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

NCI_THESAURUS

C72686

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

INN

8707

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

USAN

RR-69

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

RXCUI

1000082

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

RxNorm

EVMPD

SUB37833

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

WIKIPEDIA

ALCAFTADINE

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

DRUG CENTRAL

4165

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

IUPHAR

7587

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

DRUG BANK

DB06766

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

MESH

C557708

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

DAILYMED

7Z8O94ECSX

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

CHEBI

71023

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

PUBCHEM

19371515

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

SMS_ID

100000129238

Created by admin on Fri Dec 15 16:35:50 UTC 2023 , Edited by admin on Fri Dec 15 16:35:50 UTC 2023

PRIMARY

Related Record Type Details


					7Z8O94ECSX

EXCRETED UNCHANGED

Comments:

Based on data following oral administration of alcaftadine (1 mg, at day 8), the carboxylic acid metabolite is primarily eliminated unchanged in the urine.

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> NON-SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> AGONIST

Comments:

Alcaftadine is a H1 histamine receptor antagonist and inhibitor of the release of histamine from mast cells.

Related Record Type Details


					JWC6JV6KKL

11-(1-METHYL-4-PIPERIDYLIDENE)-5,6-DIHYDROIMIDAZO(1,2-C)(3)BENZAZEPINE-3-CARBALDEHYDE

METABOLITE -> PARENT

Interaction Type:

MINOR


					N3S879Z8ZC

ALCAFTADINE-N-OXIDE

METABOLITE -> PARENT

Interaction Type:

MINOR


					T50E484899

ALCAFTADINE CARBOXYLIC ACID

METABOLITE -> PARENT

Comments:

by one or more cytosolic enzymes

Interaction Type:

MAJOR

Qualification:

PLASMA

Related Record Type Details


					7Z8O94ECSX

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				topical administration of 0.25% alcaftadine ophthalmic solution