KETOTIFEN FUMARATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H19NOS.C4H4O4
Molecular Weight	425.497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of KETOTIFEN FUMARATE

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC(CC1)=C2C3=C(SC=C3)C(=O)CC4=C2C=CC=C4

InChI

InChIKey=YNQQEYBLVYAWNX-WLHGVMLRSA-N

InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

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	C19H19NOS
Molecular Weight	309.425
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 15:14:32 UTC 2023` Edited by `admin` on `Fri Dec 15 15:14:32 UTC 2023`
Record UNII	HBD503WORO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KETOTIFEN FUMARATE

Official Name

English

HC-20511 FUMARATE

Code

English

Ketotifen fumarate [WHO-DD]

Common Name

English

KETOTIFEN FUMARATE [JAN]

Common Name

English

4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one fumarate (1:1)

Systematic Name

English

ZADITOR

Brand Name

English

HC 20,511 FUMARATE

Code

English

KETOTIFEN FUMARATE [ORANGE BOOK]

Common Name

English

NSC-757415

Code

English

KETOTIFEN FUMARATE [MART.]

Common Name

English

ZADITEN

Brand Name

English

KETOTIFEN FUMARATE [USAN]

Common Name

English

ALAWAY

Brand Name

English

KETOTIFEN FUMARATE [VANDF]

Common Name

English

KETOTIFEN HYDROGEN FUMARATE

Common Name

English

KETOTIFEN FUMARATE [MI]

Common Name

English

KETOTIFEN (AS FUMARATE)

Common Name

English

10H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHEN-10-ONE, 4,9-DIHYDRO-4-(1-METHYL-4-PIPERIDINYLIDENE)-, (E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

KETOTIFEN HYDROGEN FUMARATE [EP MONOGRAPH]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL534

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

DRUG BANK

DB00920

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

EVMPD

SUB12095MIG

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

NCI_THESAURUS

C47579

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

PUBCHEM

5282408

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

ECHA (EC/EINECS)

252-100-0

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

NSC

757415

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

FDA UNII

HBD503WORO

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

SMS_ID

100000092186

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

EPA CompTox

DTXSID30892970

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

DAILYMED

HBD503WORO

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

CAS

34580-14-8

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

MERCK INDEX

m6624

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

Merck Index

RXCUI

11404

Created by admin on Fri Dec 15 15:14:33 UTC 2023 , Edited by admin on Fri Dec 15 15:14:33 UTC 2023

PRIMARY

RxNorm

Related Record Type Details


					X49220T18G

KETOTIFEN

PARENT -> SALT/SOLVATE


					88XHZ13131

PARENT -> SALT/SOLVATE

Related Record Type Details


					83L78F2PTA

4-(1-Methyl-4-piperidinylidene)-4H-benzo[4,5]cyclohepta[1,2-b]thiophene-9,10-dione

IMPURITY -> PARENT

Amount:


					72Y2QNS3UB

Ketotifen N-Oxide

IMPURITY -> PARENT

Amount:


					X49220T18G

KETOTIFEN

IMPURITY -> PARENT

Amount:


					5C5W2N9VHS

4-Hydroxy Ketotifen

IMPURITY -> PARENT

Amount:


					3FR2M45S97

9-Oxo Ketotifen

IMPURITY -> PARENT

Amount:

Related Record Type Details


					X49220T18G

KETOTIFEN

ACTIVE MOIETY