EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

7 API Suppliers, 4 CEP/COS, 3 EU WC, 1 NDC API, 1 Listed Suppliers, $ API Reference Price

7 API Suppliers
4 CEP/COS
3 EU WC
1 NDC API
1 Listed Suppliers
$ API Reference Price

FINISHED DOSAGE FORMULATIONS

4 FDF Dossiers, 4 Listed Dossiers

4 FDF Dossiers
4 Listed Dossiers

MARKET PLACE

2 APIs

marketPlace
2 APIs

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 50

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 85118-27-0, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrochloride, 4dy48g26jy, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3h-2-benzofuran-5-carbonitrile;hydrochloride, Einecs 285-680-9, Unii-4dy48g26jy

Molecular Formula

C₂₀H₂₂ClFN₂O

Molecular Weight

360.9 g/mol

InChI Key

FXSXPIKCGLXHAW-UHFFFAOYSA-N

FDA UNII

4DY48G26JY

1 2D Structure

Citalopram Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride

2.1.2 InChI

InChI=1S/C20H21FN2O.ClH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H

2.1.3 InChI Key

FXSXPIKCGLXHAW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Cl

2.2 Other Identifiers

2.2.1 UNII

4DY48G26JY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 85118-27-0

2. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile Hydrochloride

3. 4dy48g26jy

4. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3h-2-benzofuran-5-carbonitrile;hydrochloride

5. Einecs 285-680-9

6. Unii-4dy48g26jy

7. Seropram (tn)

8. Citalopram Hcl

9. Schembl1515377

10. Dtxsid101005517

11. (+/-)-citalopram Hydrochloride

12. Citalopram Hydrochloride [mart.]

13. Citalopram Hydrochloride [who-dd]

14. 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Monohydrochloride

15. En300-49950

16. Citalopram Hydrochloride [ep Monograph]

17. D07705

18. 118c270

19. Q27259466

20. 1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride

21. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile--hydrogen Chloride (1/1)

22. 5-isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, Hydrochloride (1:1)

23. 5-isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, Monohydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂ClFN₂O
Molecular Weight	360.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	360.1404692 g/mol
Monoisotopic Mass	360.1404692 g/mol
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2