Milverpharma Pvt Ltd

CAS 147687-17-0

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 147687-17-0, 9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-9-(benzyloxy)-4h-pyrido[1,2a]pyrimidin-4-one, Paliperidone impurity 02, 3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one, 9-benzyloxy-3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Molecular Formula

C₁₈H₁₇ClN₂O₂

Molecular Weight

328.8 g/mol

InChI Key

DFZLZGAIWJGCIJ-UHFFFAOYSA-N

1 2D Structure

CAS 147687-17-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2.1.2 InChI

InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3

2.1.3 InChI Key

DFZLZGAIWJGCIJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CCCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 147687-17-0

2. 9-(benzyloxy)-3-(2-chloroethyl)-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

3. 3-(2-chloroethyl)-2-methyl-9-(benzyloxy)-4h-pyrido[1,2a]pyrimidin-4-one

4. Paliperidone Impurity 02

5. 3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

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

7. 9-benxyloxy-3-(2-chloro Ethyl)-2-methyl Pyrido[1,2-a]pyrimidine-4-one

8. Schembl795384

9. Dtxsid90593032

10. Zinc22054541

11. Akos015901341

12. Ac-3481

13. 3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)-4h-pyrido[1,2-a]pyrimidin-4-one

14. Ft-0649315

15. 687c170

16. A855385

17. J-008388

18. 3-(2-chloroethyl)-2-methyl-9-benzyloxy-4h-pyrido[1,2-a]pyrimidine-4-one

19. 3-(2-chloroethyl)-9-benzyloxy-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₇ClN₂O₂
Molecular Weight	328.8 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	328.0978555 g/mol
Monoisotopic Mass	328.0978555 g/mol
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	598
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	1

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3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl...

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CAS Number

130049-82-0

End Use API

Paliperidone

About the Company

MilverPharma Private Limited driven by Globally experienced management and highly qualified professionals...

MilverPharma Private Limited driven by Globally experienced management and highly qualified professionals. Our people have extensive and versatile experience in multi-disciplinary projects in Pharma. We offer expertize services in Process R&D: Design and development of cost-effective and viable process including semi bulk, bulk production, Hazardous free chemicals and reagents process, Identification of IP space and develop novel, patentable non- infringement routes.

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