CAS 69788-75-6

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 69788-75-6, Veratric acid 4-chlorobutyl ester, P793vs3c3d, Benzoic acid, 3,4-dimethoxy-, 4-chlorobutyl ester, 4-chlorobutyl veratrate, 4-chlorobutyl3,4-dimethoxybenzoate

Molecular Formula

C₁₃H₁₇ClO₄

Molecular Weight

272.72 g/mol

InChI Key

VDKIZIBOFDIQRW-UHFFFAOYSA-N

FDA UNII

P793VS3C3D

1 2D Structure

CAS 69788-75-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chlorobutyl 3,4-dimethoxybenzoate

2.1.2 InChI

InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3

2.1.3 InChI Key

VDKIZIBOFDIQRW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C(=O)OCCCCCl)OC

2.2 Other Identifiers

2.2.1 UNII

P793VS3C3D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 69788-75-6

2. Veratric Acid 4-chlorobutyl Ester

3. P793vs3c3d

4. Benzoic Acid, 3,4-dimethoxy-, 4-chlorobutyl Ester

5. 4-chlorobutyl Veratrate

6. 4-chlorobutyl3,4-dimethoxybenzoate

7. 3,4-dimethoxybenzoic Acid 4-chlorobutyl Ester

8. Ec 410-950-1

9. Unii-p793vs3c3d

10. Schembl11493970

11. Dtxsid70511279

12. Zinc15119266

13. Akos015999531

14. A866748

15. J-515146

16. Mebeverine Hydrochloride Impurity E [ep Impurity]

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₇ClO₄
Molecular Weight	272.72 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	272.0815367 g/mol
Monoisotopic Mass	272.0815367 g/mol
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	247
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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Synthokem Labs

Synthokem Labs specializes in producing APIs and intermediates for the global pharma industry.

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1-(4-Methoxy Phenyl) Acetone

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CAS Number

122-84-9

End Use API

Synthokem Labs Pvt Ltd is a privately owned company established in 1978, specializing in the production o...

Synthokem Labs Pvt Ltd is a privately owned company established in 1978, specializing in the production of Active Pharmaceutical Ingredients and Drug Intermediates. Operating across two states, Telangana and Andhra Pradesh, in India, the company has earned global recognition for its expertise in manufacturing and distributing a diverse range of products. With a strong focus on research and development, Synthokem Labs is dedicated to offering accessible and affordable pharmaceutical solutions to those in need.

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SPC Lifesciences Pvt. Ltd

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4-Methoxyphenylacetone

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CAS Number

122-84-9

End Use API

Mebeverine

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Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical com...

Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company associated with the pharmaceutical and life sciences industry. For projects that involve complex chemistry and technological excellence & Import substitutes, we have a team that has a proven track record delivering - every time. We are the leading manufacturer & exporter of a broad range of pharmaceutical active ingredients and intermediates which are extensively used in various finished doses & research laboratories.

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Vihita Bio Chem

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4-MethoxyphenylaAcetone

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122-84-9

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Mebeverine

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Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug in...

Vihita Bio Chem is a rapidly growing and fully integrated company engaged in the manufacturing of drug intermediates, specialty chemicals, and fine chemicals. Strategically located in Ankleshwar, the largest chemical zone in Asia, the company benefits from excellent connectivity through land and sea routes to major ports in India, facilitating efficient exports. As a fully integrated entity, Vihita Bio Chem has established itself as a key player in the production of drug intermediates and specialty chemicals. Its global presence underscores its commitment to meeting the demands of the pharmaceutical and chemical industries on a broad scale.

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