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Sitagliptin

CAT: 1299-RM-S200770-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S200770-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
486460-32-6
Synonyms
(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
Molecular Formula
C16H15F6N5O
Molecular Weight
407.31
Target Alternative Name
Sitagliptin
Product Name Synonym
(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

Chemical Information

Sitagliptin

Sitagliptin is a triazolopyrazine that exhibits hypoglycemic activity. It has a role as a hypoglycemic agent, a xenobiotic, a serine proteinase inhibitor, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor and an environmental contaminant. It is a triazolopyrazine and a trifluorobenzene.

CAS Number486460-32-6
PubChem CID4369359
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
Molecular FormulaC16H15F6N5O
Molecular Weight407.31
XLogP0.7
Topological Polar Surface Area77
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity566
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N
InChI
InChI=1S/C16H15F6N5O/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/t9-/m1/s1
InChIKey
MFFMDFFZMYYVKS-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Sitagliptin
CAS: 486460-32-6
CID: 4369359
Formula: C16H15F6N5O
MW: 407.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.31
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass407.11807909
Monoisotopic Mass407.11807909
Topological Polar Surface Area77 Ų
Heavy Atom Count28
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-S491035-500MGSitagliptin

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