SITAGLIPTIN PHOSPHATE

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Search structure


Trade Names	JANUVIA SITAGLIPTIN PHOSPHATE
Synonyms	Glactiv Janumet Xr Januvia MK-0431 MK0431 ONO-5435 Sitagliptin monophosphate Sitagliptin monophosphate anhydrous Sitagliptin monophosphate monohydrate Sitagliptin phosphate Sitagliptin phosphate anhydrous Sitagliptin phosphate hydrate Sitagliptin phosphate monohydrate
Status
Molecule Category	Salt-form
UNII	TS63EW8X6F
Parent Compound:	SITAGLIPTIN

Structure


InChI Key	GQPYTJVDPQTBQC-KLQYNRQASA-N
Smiles	N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O
InChI	InChI=1S/C16H15F6N5O.H3O4P.H2O/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;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H20F6N5O6P
Molecular Weight	523.33
AlogP	2.02
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	77.04
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	28.0

Pharmacology

Mechanism of Action	Action	Reference
Dipeptidyl peptidase IV inhibitor	INHIBITOR	DailyMed

Target Conservation


Protein: Dipeptidyl peptidase IV Description: Dipeptidyl peptidase 4 Organism : Homo sapiens P27487 ENSG00000197635

Cross References

Resources	Reference
ChEMBL	CHEMBL1201174
FDA SRS	TS63EW8X6F
PubChem	11591741
SureChEMBL	SCHEMBL1039535

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025