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Chemistry

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Also known as: Cloperidone hcl, Ma 1337, 525-26-8, Cloperidone hydrochloride [usan], Nsc-198100, Ma-1337

Molecular Formula

C₂₁H₂₄Cl₂N₄O₂

Molecular Weight

435.3 g/mol

InChI Key

QUGOVTRSGWYKSQ-UHFFFAOYSA-N

FDA UNII

17682058OP

1 2D Structure

Cloperidone Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione;hydrochloride

2.1.2 InChI

InChI=1S/C21H23ClN4O2.ClH/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28;/h1-3,5-8,15H,4,9-14H2,(H,23,28);1H

2.1.3 InChI Key

QUGOVTRSGWYKSQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

17682058OP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cloperidone Hcl

2. Ma 1337

3. 525-26-8

4. Cloperidone Hydrochloride [usan]

5. Nsc-198100

6. Ma-1337

7. 17682058op

8. 2,4(1h,3h)-quinazolinedione, 3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-, Monohydrochloride

9. Cloperidone Hydrochloride (usan)

10. Nsc198100

11. Nsc 198100

12. Unii-17682058op

13. 3-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-2,4(1h,3h)-quinazolinedione Hydrochloride

14. 3-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-2,4-(1h,3h)-quinazolinedione Monohydrochloride

15. Schembl122569

16. Chembl2106069

17. Dtxsid20200500

18. D03558

19. Q27251877

20. 2,3h)-quinazolinedione, 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-, Monohydrochloride

21. 2,3h)-quinazolinedione, 3-[3-[4-(m-chlorophenyl)-1-piperazinyl]propyl]-, Monohydrochloride

22. 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1h-quinazoline-2,4-dione;hydrochloride

23. 3-[3-[4-(m-chlorophenyl)-1-piperazinyl]propyl]-2,3h)-quinazolinedione Monohydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₄Cl₂N₄O₂
Molecular Weight	435.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	434.1276314 g/mol
Monoisotopic Mass	434.1276314 g/mol
Topological Polar Surface Area	55.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	567
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2