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    Also known as: 181289-15-6, 3-carbamoymethyl-5-methylhexanoic acid, Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, 3-(carbamoylmethyl)-5-methylhexanoic acid, Mfcd08457698, (+/-)-3-(carbamoylmethyl)-5-methylhexanoic acid
    Molecular Formula
    C9H17NO3
    Molecular Weight
    187.24  g/mol
    InChI Key
    NPDKTSLVWGFPQG-UHFFFAOYSA-N
    CAS 181289-15-6
    1 2D Structure

    CAS 181289-15-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
    2.1.2 InChI
    InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)
    2.1.3 InChI Key
    NPDKTSLVWGFPQG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CC(CC(=O)N)CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 181289-15-6

    2. 3-carbamoymethyl-5-methylhexanoic Acid

    3. Hexanoic Acid, 3-(2-amino-2-oxoethyl)-5-methyl-

    4. 3-(carbamoylmethyl)-5-methylhexanoic Acid

    5. Mfcd08457698

    6. (+/-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    7. Mfcd09028111

    8. Pregabalin Impurity 10

    9. 3-(2-amino-2-oxoethyl)-5-methylhexanoicacid

    10. Rac-pregabalin Impurity Iii

    11. Schembl664076

    12. Dtxsid60446389

    13. Bcp14082

    14. ( Inverted Exclamation Marka)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    15. Akos006289231

    16. Ac-7772

    17. Am84634

    18. Sb44410

    19. 3-carbamoylmethyl-5-methyl-hexanoic Acid

    20. As-15327

    21. Sy046614

    22. Sy102936

    23. Cs-0154068

    24. Ft-0648924

    25. Ft-0651253

    26. Ft-0696295

    27. 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic Acid

    28. 289c156

    29. 3-(2-amino-2-oxoethyl)-5-methylhexanoic

    30. A812604

    31. A1-00280

    32. ( Inverted Exclamation Marka)-3-(carbamoylmethyl)-5-methylhexanoicacid

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 187.24 g/mol
    Molecular Formula C9H17NO3
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass187.12084340 g/mol
    Monoisotopic Mass187.12084340 g/mol
    Topological Polar Surface Area80.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity189
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    Believe Pharma

    (±)–3–(Carbamoyl methyl) –5– methyl hexan...
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    Believe Pharma

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    (±)–3–(Carbamoyl methyl) –5– methyl hexan...

    CAS Number : 181289-15-6

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    End Use API : Pregabalin

    About the Company : Believe pharma is one of the leading manufacturers of APIs and its intermediates with multi-dimensional business activities. The company maintain a high standard of quality in complian...

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    (+)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid (...

    CAS Number : 181289-15-6

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    End Use API : Pregabalin

    About the Company : Chemclone Industries is India’s leading manufacturer of bromide derivatives, specialty chemicals, quaternary ammonium and phosphonium salts, APIs, and intermediates. With five manufac...

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    Darshan Pharma Chem

    (+/-)-3-(carbamoylmethyl)-5-methylhexanoic Acid
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    (+/-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

    CAS Number : 181289-15-6

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    About the Company : Darshan Pharmachem, founded in 2011 in Ankleshwar, is a leading pharmaceutical company specializing in high-quality and innovative API intermediates. We are committed to meeting the evo...

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    Dasami Lab

    (±)-3-(CARBAMOYLMETHYL)-5- METHYL HEXANOIC ACID
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    (±)-3-(CARBAMOYLMETHYL)-5- METHYL HEXANOIC ACID

    CAS Number : 181289-15-6

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    About the Company : Dasami Lab Private Limited incorporated with MCA on 24 July 2015. The Dasami Lab Private Limited is listed in the class of pvtltd company and classified as Non Govt Company. This compan...

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    Elixir Pharma

    RS-(3-Cabamoylmethyl)-5-Methylhexanoic Acid
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    RS-(3-Cabamoylmethyl)-5-Methylhexanoic Acid

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    About the Company : Elixir Pharma is founded in Sep 2009 by a group of seasoned, experienced techno commercial professionals in Ahmadabad, Gujarat (India). Elixir Pharma aspires to emerge as a leading Fine...

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    (R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid

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    About the Company : With over twenty years of experience in chemicals and pharmaceuticals industries, our team boasts unparalleled expertise in fine chemicals, advanced pharmaceutical intermediates, and va...

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    3-Carbamoymethyl-5-met hylhexanoic acid

    CAS Number : 181289-15-6

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    About the Company : Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient tran...

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    Neochem Pharma

    (+/-)-3-Carbamoyalmethyl-5 methyl hexanoic acid (C...
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    (+/-)-3-Carbamoyalmethyl-5 methyl hexanoic acid (C...

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    About the Company : Neochem Pharma LLP, established in 2020 by Dr. Madhavi Patel, is a Morbi-based developer, manufacturer, exporter, and supplier of specialized pharmaceutical powders, APIs, and intermedi...

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    Parshwanath Life Sciences

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    3-(Carbamoyl Methyl)-5-Methyl Hexanoic Acid

    CAS Number : 181289-15-6

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    End Use API : Pregabalin

    About the Company : We are working in this business since last 14 years, supplying chemicals of all Grades & Quality to our valued customers in major Industries, entirely to their satisfaction and at best ...

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    Ramdev Chemical Pvt Ltd

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    Pregabalin

    CAS Number : 181289-15-6

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    About the Company : Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecul...

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