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Gemigliptin tartrate

CAT: 0024-sc-507281Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-507281Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374639-74-3

Chemical Information

Gemigliptin tartrate
CAS Number1374639-74-3
PubChem CID60199080
IUPAC Name1-[(2S)-2-amino-4-[2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular FormulaC22H25F8N5O8
Molecular Weight639.4
Topological Polar Surface Area207
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity880
SMILES
C1CC(CN(C1=O)C[C@H](CC(=O)N2CCC3=C(C2)N=C(N=C3C(F)(F)F)C(F)(F)F)N)(F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C18H19F8N5O2.C4H6O6/c19-16(20)3-1-12(32)31(8-16)6-9(27)5-13(33)30-4-2-10-11(7-30)28-15(18(24,25)26)29-14(10)17(21,22)23;5-1(3(7)8)2(6)4(9)10/h9H,1-8,27H2;1-2,5-6H,(H,7,8)(H,9,10)/t9-;1-,2-/m01/s1
InChIKey
DPEZWSNXONTJHT-NDAAPVSOSA-N
Chemical Structure
2D Structure
2D structure of Gemigliptin tartrate
CAS: 1374639-74-3
CID: 60199080
Formula: C22H25F8N5O8
MW: 639.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count7
Exact Mass639.15753807
Monoisotopic Mass639.15753807
Topological Polar Surface Area207 Ų
Heavy Atom Count43
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-G248570-100MGGemigliptin (tartrate)
AR-G01737-01Gemigliptin Tartrate
AR-G02192-01Gemigliptin L-Tartrate
AR-G02191-01Rac-Gemigliptin Tartrate
HY-14892B-01Gemigliptin (tartrate hydrate)
T212102-01Gemigliptin tartrate hydrate
AR-G01753-01(R) -Gemigliptin Tartrate
AR-G02193-01(R) -Gemigliptin L-Tartrate
AR-G01736-018-Hydroxy Gemigliptin Tartrate
MBS5786076Gemigliptin Tartrate (911637-19-9 free base)

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