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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130049-82-0

End Use API

Paliperidone

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Anugraha Chemicals, a company engaged in Contract Manufacturing and Manufacturing of APIs, Intermediates ...

Anugraha Chemicals, a company engaged in Contract Manufacturing and Manufacturing of APIs, Intermediates and Fine Chemicals, was established in 1991 and has a rich experience of over two and a half decades in the Pharmaceutical arena. The unit is located at KSSIDC Industrial Estate, Doddaballapur, Bangalore, India, about 25kms drive from Kempegowda International Airport. The facility is currently GMP certified and is in compliance with ISO 9001-2008 QMS, 14001-2004 EMS, 18001-2007 OHSAS and HALAL. We are working on upgrading the facility to comply with WHO-GMP. The facility houses a well equipped R&D and Pilot Scale Lab designed to manufact

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Paliperidone

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Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.

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1-Acetylpiperidine-4-carboxylic acid

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25503-90-6

End Use API

Paliperidone

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Kalintis Healthcare is a vision with a drive to create a health-conscious Pharmaceuticals Company serving...

Kalintis Healthcare is a vision with a drive to create a health-conscious Pharmaceuticals Company serving to bring Wellness to Humanity. We develop robust in-house technology by setting the highest quality standards for the manufacturing of Speciality Chemicals, Advanced Intermediates, and Active Pharmaceutical Ingredients in our Chemical Process R&D and subsequently execute the Commercial-scale manufacturing in order to serve global customers. The APIs manufactured are targeted for the USA market & the rest all products targeted for global supplies. Plans are in place to file atleast three DMF’s in a year.

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Paliperidone

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

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130049-82-0

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Paliperidone

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Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderaba...

Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emphasis on choosing an API portfolio with a wide range of applications for the global pharma market. It provides a wide variety of integrated products and services. By offering timely and high-quality support, Ocimum Labs hopes to become a strategic partner to global pharma firms and deliver high-quality, cost effective key starting materials, intermediates and APIs. It intends to build a manufacturing facility with a 230KL capacity in Visakhapatnam, India.

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Methanone, (4-fluoro-2-hydroxyphenyl)-4- piperidinyl

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767582-67-2

End Use API

Paliperidone

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Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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