Please Wait
Applying Filters...
menu
    • menu
    PharmaCompass Sponsored Ads

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    PharmaCompass Sponsored Ads

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    Sitagliptin Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 662Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 486459-71-6, Sitagliptin monohydrochloride, Iel0a0os7e, (3r)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5h-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride, (r)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride, 1,2,4-triazolo(4,3-a)pyrazine, 7-((3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride
    Molecular Formula
    C16H16ClF6N5O
    Molecular Weight
    443.77  g/mol
    InChI Key
    PNXSHNOORJKXDW-SBSPUUFOSA-N
    FDA UNII
    IEL0A0OS7E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H15F6N5O.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;/h4,6,9H,1-3,5,7,23H2;1H/t9-;/m1./s1
    2.1.3 InChI Key
    PNXSHNOORJKXDW-SBSPUUFOSA-N
    2.1.4 Canonical SMILES
    C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.Cl
    2.1.5 Isomeric SMILES
    C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    IEL0A0OS7E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 486459-71-6

    2. Sitagliptin Monohydrochloride

    3. Iel0a0os7e

    4. (3r)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5h-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride

    5. (r)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8h)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one Hydrochloride

    6. 1,2,4-triazolo(4,3-a)pyrazine, 7-((3r)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl)-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, Monohydrochloride

    7. 1-butanone, 3-amino-1-(5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyrazin-7(8h)-yl)-4-(2,4,5-trifluorophenyl)-, Hydrochloride (1:1), (3r)-

    8. Sitagliptin Hcl

    9. Unii-iel0a0os7e

    10. Chembl539077

    11. Schembl1533793

    12. Q27280690

    13. 1000153-09-2

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 443.77 g/mol
    Molecular Formula C16H16ClF6N5O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass443.0947568 g/mol
    Monoisotopic Mass443.0947568 g/mol
    Topological Polar Surface Area77 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity566
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    For adult patients with type 2 diabetes mellitus, Sitagliptin Accord is indicated to improve glycaemic control:

    as monotherapy:

    - in patients inadequately controlled by diet and exercise alone and for whom metformin is inappropriate due to contraindications or intolerance.

    as dual oral therapy in combination with:

    - metformin when diet and exercise plus metformin alone do not provide adequate glycaemic control.

    - a sulphonylurea when diet and exercise plus maximal tolerated dose of a sulphonylurea alone do not provide adequate glycaemic control and when metformin is inappropriate due to contraindications or intolerance.

    - a peroxisome proliferator-activated receptor gamma (PPARy) agonist (i. e. a thiazolidinedione) when use of a PPARy agonist is appropriate and when diet and exercise plus the PPARy agonist alone do not provide adequate glycaemic control.

    as triple oral therapy in combination with:

    - a sulphonylurea and metformin when diet and exercise plus dual therapy with these medicinal products do not provide adequate glycaemic control.

    - a PPARy agonist and metformin when use of a PPARy agonist is appropriate and when diet and exercise plus dual therapy with these medicinal products do not provide adequate glycaemic control.

    Sitagliptin Accord is also indicated as add-on to insulin (with or without metformin) when diet and exercise plus stable dose of insulin do not provide adequate glycaemic control.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    A10BH01