CAS 93076-03-0

Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 18 Related Intermediates

3 Suppliers
3 End Use APIs
18 Related Intermediates

MARKET PLACE

2 Intermediates

2 Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 93076-03-0, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1, 2-a]-pyrimidin-4-one hcl, 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-onehydrochloride, 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, monohydrochloride, Ec 424-530-0

Molecular Formula

C₁₁H₁₆Cl₂N₂O

Molecular Weight

263.16 g/mol

InChI Key

OPYLAGAQMHMBNY-UHFFFAOYSA-N

1 2D Structure

CAS 93076-03-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

2.1.2 InChI

InChI=1S/C11H15ClN2O.ClH/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;/h2-7H2,1H3;1H

2.1.3 InChI Key

OPYLAGAQMHMBNY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCCl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 93076-03-0

2. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;hydrochloride

3. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1, 2-a]-pyrimidin-4-one Hcl

4. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-onehydrochloride

5. 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-, Monohydrochloride

6. Ec 424-530-0

7. Schembl1443956

8. Dtxsid00575602

9. Act04316

10. Amy40864

11. Mfcd09031252

12. Akos015899627

13. Ac-3458

14. Cs-w021757

15. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one Hydrochloride

16. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride

17. 3-(2-chloroethyl)-6,7,8,9-tetra-hydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-one Monohydrochloride

18. As-11462

19. D78317

20. 076c030

21. J-510496

22. 3-(2-chloroethyl)-2-methyl-4h,6h,7h,8h,9h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride

23. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2 A]pyrimidine-4-one Hcl

24. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one Hcl

25. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one Hydrochloride (risperidone Piperidopyrimidinone Intermediate Hydrochloride)

26. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one--hydrogen Chloride (1/1)

27. 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidine-4-one Hydrochloride

28. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido [1,2-a]pyrimidin-4-one Monohydrochloride

29. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one Monohydrochloride

30. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one Monohydrochloride

2.3 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆Cl₂N₂O
Molecular Weight	263.16 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	262.0639685 g/mol
Monoisotopic Mass	262.0639685 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	347
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