Hikal | CAS 880468-89-3 | Related Intermediates | Manufacturers & Suppliers

CAS 880468-89-3

Chemistry, 1 End Use API, 10 Related Intermediates

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Also known as: 880468-89-3, Lacosamide impurity a, (r)-tert-butyl1-(benzylamino)-3-methoxy-1-oxopropan-2-ylcarbamate, Tert-butyl n-[(2r)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate, Tert-butyl [(2r)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate, Schembl43571

Molecular Formula

C₁₆H₂₄N₂O₄

Molecular Weight

308.37 g/mol

InChI Key

ZEWWJSJMNBJIKR-CYBMUJFWSA-N

1 2D Structure

CAS 880468-89-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-13(11-21-4)14(19)17-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m1/s1

2.1.3 InChI Key

ZEWWJSJMNBJIKR-CYBMUJFWSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC(COC)C(=O)NCC1=CC=CC=C1

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](COC)C(=O)NCC1=CC=CC=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 880468-89-3

2. Lacosamide Impurity A

3. (r)-tert-butyl1-(benzylamino)-3-methoxy-1-oxopropan-2-ylcarbamate

4. Tert-butyl N-[(2r)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

5. Tert-butyl [(2r)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate

6. Schembl43571

7. Dtxsid40673136

8. Cx1019

9. Mfcd16620517

10. Zinc59581651

11. Akos016000250

12. Ds-0941

13. Ac-25781

14. Am808178

15. Carbamic Acid, N-[(1r)-1-(methoxymethyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-, 1,1-dimethylethyl Ester

16. Cs-0006747

17. J3.516.931h

18. 468b893

19. N-benzyl-nalpha-(tert-butyloxycarbonyl)-o-methyl-d-serinamide

20. Tert-butyl N-[(1r)-1-(benzylcarbamoyl)-2-methoxyethyl]carbamate

2.3 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄N₂O₄
Molecular Weight	308.37 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	308.17360725 g/mol
Monoisotopic Mass	308.17360725 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360
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	1

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Boc-D-serine benzyl amide = (R)-N-benzyl-2-N-Boc-amino...

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CAS Number

1253790-58-7

End Use API

Lacosamide

About the Company

Hikal is an established provider of research services, active ingredients, intermediates and regulatory s...

Hikal is an established provider of research services, active ingredients, intermediates and regulatory starting materials under cGMP conditions to thePharmaceutical, Crop Protection and Specialty Chemicals industry. Our manufacturing facilities located in India have also been certified by the US FDA, TGA, PMDA & are ISO 9001:2008, ISO 14001, OHSAS 18001 certified and audited by global innovator, generic and biotech companies. We are a 'Responsible Care' certified company which values and respects the Intellectual property rights of our customers.Strengths: Custom Synthesis; Contract Manufacturing; Process Development, Scale-up expertise.

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