CAS 866783-13-3

Chemistry, 4 End Use API, 17 Related Intermediates

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2 Intermediates

2 Intermediates

Also known as: 866783-13-3, Jf52qm9rub, (1s)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane hcl, 1-[(7s)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-n-methylmethanamine;hydrochloride, (1s)-4,5-dimethoxy-1-((methylamino)methyl)benzocyclobutane hydrochloride, (s)-n-((4,5-dimethoxybenzocyclobutan-1-yl)methyl)-n-methylamine hydrochloride

Molecular Formula

C₁₂H₁₈ClNO₂

Molecular Weight

243.73 g/mol

InChI Key

SWSAIQSQSDOONK-SBSPUUFOSA-N

FDA UNII

JF52QM9RUB

1 2D Structure

CAS 866783-13-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C12H17NO2.ClH/c1-13-7-9-4-8-5-11(14-2)12(15-3)6-10(8)9;/h5-6,9,13H,4,7H2,1-3H3;1H/t9-;/m1./s1

2.1.3 InChI Key

SWSAIQSQSDOONK-SBSPUUFOSA-N

2.1.4 Canonical SMILES

CNCC1CC2=CC(=C(C=C12)OC)OC.Cl

2.1.5 Isomeric SMILES

CNC[C@H]1CC2=CC(=C(C=C12)OC)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

JF52QM9RUB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 866783-13-3

2. Jf52qm9rub

3. (1s)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane Hcl

4. 1-[(7s)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-n-methylmethanamine;hydrochloride

5. (1s)-4,5-dimethoxy-1-((methylamino)methyl)benzocyclobutane Hydrochloride

6. (s)-n-((4,5-dimethoxybenzocyclobutan-1-yl)methyl)-n-methylamine Hydrochloride

7. (((7s)-3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)(methyl)amine Hydrochloride

8. Bicyclo(4.2.0)octa-1,3,5-triene-7-methanamine, 3,4-dimethoxy-n-methyl-, Hydrochloride, (7s)-

9. (1s)-4,5-dimethoxy-1-((methylamino)methyl)benzocyclobutane Hcl

10. Ivabradine Impurity 17

11. Unii-jf52qm9rub

12. Schembl385259

13. Dtxsid20583027

14. Amy40530

15. Bcp10455

16. Mfcd13194843

17. Akos015907626

18. Ac-5503

19. As-72908

20. Cs-0151042

21. A20090

22. D70918

23. 783d133

24. J-500399

25. (1s)-4,5-dimethoxy-1- (methylaminomethyl)- Benzocyclobutane Hcl

26. (1s)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutanehydrochloride

27. (s)-n-[ Pound 4,5-dimethoxybenzocyclobut-1-yl Pound(c)methyl ]-n-methylamine Hydrochloride

28. (s)-n-[(4,5-dimethoxybenzocyclobut-1-yl)methyl ]-n-methylamine Hydrochloride

29. (s)-n-[(4,5-dimethoxybenzocyclobut-1-yl)methyl]-n-methylamine Hydrochloride

30. {[(7s)-3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}(methyl)amine Hydrochloride

31. 1-[(7s)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-n-methylmethanamine Hydrochloride

32. 1-[(7s)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-n-methylmethanamine--hydrogen Chloride (1/1)

2.4 Create Date

2007-06-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈ClNO₂
Molecular Weight	243.73 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	243.1026065 g/mol
Monoisotopic Mass	243.1026065 g/mol
Topological Polar Surface Area	30.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Tagoor Laboratories

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CAS Number

866783-13-3

End Use API

Ivabradine Hydrochloride

About the Company

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...

Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.

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Dalian Richon Chem

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(7S)-3,4-Dimethoxy-N-methyl Bicyclo[4.2.0]octa-1,3,5-tr...

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866783-13-3

End Use API

Ivabradine Hydrochloride

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Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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CAS-866783-13-3

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Ivabradine Hydrochloride

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Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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Suraj Labs

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866783-13-3

End Use API

Ivabradine Hydrochloride

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Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Rese...

Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Research and Manufacturing Services (CRAMS), Custom Synthesis, and cGMP scale manufacturing services necessary for the large-scale production of Active Pharmaceutical Ingredients (APIs), Saleable Intermediates for APIs, and Key Starting Materials (KSMs). It operates as a specialized pharmaceutical bulk drug manufacturing entity located in India.

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