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CAS 219835-31-1

Chemistry, 2 End Use API, 9 Related Intermediates

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Also known as: 219835-31-1, Benzyl n-[(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate, (r)-benzyl 1-(benzylamino)-3-hydroxy-1-oxopropan-2-ylcarbamate, N-[(1r)-1-(hydroxymethyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]carbamic acid benzyl ester, Schembl1697358, Dtxsid40679613

Molecular Formula

C₁₈H₂₀N₂O₄

Molecular Weight

328.4 g/mol

InChI Key

UXFRXMOGXOINIH-MRXNPFEDSA-N

1 2D Structure

CAS 219835-31-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-[(2R)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C18H20N2O4/c21-12-16(17(22)19-11-14-7-3-1-4-8-14)20-18(23)24-13-15-9-5-2-6-10-15/h1-10,16,21H,11-13H2,(H,19,22)(H,20,23)/t16-/m1/s1

2.1.3 InChI Key

UXFRXMOGXOINIH-MRXNPFEDSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CNC(=O)C(CO)NC(=O)OCC2=CC=CC=C2

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@@H](CO)NC(=O)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 219835-31-1

2. Benzyl N-[(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

3. (r)-benzyl 1-(benzylamino)-3-hydroxy-1-oxopropan-2-ylcarbamate

4. N-[(1r)-1-(hydroxymethyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]carbamic Acid Benzyl Ester

5. Schembl1697358

6. Dtxsid40679613

7. (r)-benzyl(1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl)carbamate

8. Cs-m1391

9. Zinc82168040

10. Akos016005422

11. Ac-26414

12. Cs-13894

13. (r)-n-benzyl-2-(benzyloxycarbonylamino)-3-hydroxypropionamide

14. Benzyl [(2r)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate

2.3 Create Date

2011-05-02

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₀N₂O₄
Molecular Weight	328.4 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	328.14230712 g/mol
Monoisotopic Mass	328.14230712 g/mol
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	391
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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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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