Beijing Zhongshuo Pharmaceutical

KXWGVTDANRDXRN-UHFFFAOYSA-N

Chemistry, 3 End Use API, 23 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

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Also known as: 338990-31-1, [2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate, Cid 11281469, Mfcd30184953, (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) acetate;, (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl n-(tert-butoxycarbonyl)-n-methylglycinate;(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

Molecular Formula

C₁₈H₂₆ClN₃O₆

Molecular Weight

415.9 g/mol

InChI Key

KXWGVTDANRDXRN-UHFFFAOYSA-N

1 2D Structure

KXWGVTDANRDXRN-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

2.1.2 InChI

InChI=1S/C18H26ClN3O6/c1-12(19)27-17(25)22(6)15-13(8-7-9-20-15)11-26-14(23)10-21(5)16(24)28-18(2,3)4/h7-9,12H,10-11H2,1-6H3

2.1.3 InChI Key

KXWGVTDANRDXRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(OC(=O)N(C)C1=C(C=CC=N1)COC(=O)CN(C)C(=O)OC(C)(C)C)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 338990-31-1

2. [2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

3. Cid 11281469

4. Mfcd30184953

5. (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) Acetate;

6. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-n-methylglycinate;(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

7. (2-{[(1-chloroethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl 2-{[(tert-butoxy)carbonyl](methyl)amino}acetate

8. N-methyl-n-(3-[((n-tert-butoxycarbonyl-n-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic Acid 1-chloroethyl Ester

9. N-methyl-n-(3-[((n-tert-butoxycarbonyl-n-methylamino)acetoxy)methyl)pyridin-2-yl]carbamic Acid 1-chloroethyl Ester

10. Schembl7736866

11. Bcp15295

12. Cs-m3665

13. Sb21150

14. [2-[[(1-chloroethoxy)carbonyl](methyl)amino]pyridin-3-yl]methyl 2-[boc(methyl)amino]acetate

15. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-n-methylglycinate

16. Ac-30712

17. Ds-11368

18. Sy121918

19. Db-115263

20. F17156

21. A875159

22. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)

23. (2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) Acetate

24. (2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl2-((tert-butoxycarbonyl)(methyl)amino)acetate

25. Glycine,n-((1,1-dimethylethoxy)carbonyl)-n-methyl-,(2-(((1-chloroethoxy)carbonyl)methylamino)-3-pyridinyl)methyl Ester

26. N-methyl-n-[3-[[[methyl(tert-butoxycarbonyl)amino]acetoxy]methyl]-2-pyridyl]carbamic Acid 1-chloroethyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₆ClN₃O₆
Molecular Weight	415.9 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	415.1510133 g/mol
Monoisotopic Mass	415.1510133 g/mol
Topological Polar Surface Area	98.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	554
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

4-(2-Bromoacetyl)benzonitrile

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CAS Number

20099-89-2

End Use API

Isavuconazonium Sulfate

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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