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Sitagliptin

CAS 486460-32-6C16H15F6N5OMW 407.31

Sitagliptin (CAS 486460-32-6) — formula C16H15F6N5O, molecular weight 407.31; category organic chemicals.

Specifications

CAS Number486460-32-6
Molecular FormulaC16H15F6N5O
Molecular Weight407.31
LogP1.5
ApplicationsUses: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611, Excretion rate: 0.79, Calculated removal (%): 1.9, Methods of Manufacturing: Preparation: S. D. Edmondson et al, World Intellectual Property Organization patent 03004498, eidem, United States of America patent 6699871 (2003, 2004 both to Merck & Co)., Formulations, Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210], Table: Sitagliptin Phosphate Combinations Preparations [Table#7211], Xelevia, Sitagliptin monophosphate monohydrate, Tesavel
CategoryOrganic Chemicals

Where it is used

Documented applications: Uses: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611, Excretion rate: 0.79, Calculated removal (%): 1.9, Methods of Manufacturing: Preparation: S. D. Edmondson et al, World Intellectual Property Organization patent 03004498, eidem, United States of America patent 6699871 (2003, 2004 both to Merck & Co)., Formulations, Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210], Table: Sitagliptin Phosphate Combinations Preparations [Table#7211], Xelevia, Sitagliptin monophosphate monohydrate, Tesavel.

Purchase Profile

What this product is

Sitagliptin is a carbon-based organic compound with CAS registry number 486460-32-6 and molecular formula C16H15F6N5O (molecular weight 407.31), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 486460-32-6

Its molecular formula C16H15F6N5O comprises 16 C, 15 H, 6 F, 5 N, 1 O atoms.

Also known as: Sitagliptin · Sitagliptin monohydrate

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Sitagliptin?

The CAS registry number of Sitagliptin is 486460-32-6.

What is the molecular formula and molecular weight of Sitagliptin?

Molecular formula C16H15F6N5O, molecular weight 407.31.

What other names is Sitagliptin known by?

It is also registered under: Sitagliptin, Sitagliptin monohydrate.

What are the documented applications of Sitagliptin?

Recorded applications: Uses: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611, Excretion rate: 0.79, Calculated removal (%): 1.9, Methods of Manufacturing: Preparation: S. D. Edmondson et al, World Intellectual Property Organization patent 03004498, eidem, United States of America patent 6699871 (2003, 2004 both to Merck & Co)., Formulations, Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210], Table: Sitagliptin Phosphate Combinations Preparations [Table#7211], Xelevia, Sitagliptin monophosphate monohydrate, Tesavel.

Which category does Sitagliptin belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for Sitagliptin (CAS 486460-32-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary2.4% (1 / 41)
Reported hazard statementsH302 (92.7%), H318 (87.8%), H373 (95.1%)

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

Regulatory listings

GHS notification summary2.4% (1 / 41)

Physical description and handling notes

  • Solid
  • Viscous liquid
  • Stable if stored as directed; avoid strong oxidizing agents. /Sitagliptin phosphate monohydrate/
  • Thermal decomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides. /Sitagliptin phosphate monohydrate/
  • MW: 523.32. White to off-white crystalline, non-hygroscopic powder. Soluble in water and N,N-dimethyl formamide; slightly soluble in methanol; very slightly soluble in ethanol, acetone, and acetonitrile; insoluble in isopropanol and isopropyl acetate. /Sitagliptin phosphate monohydrate/
  • Sitagliptin inhibits DPP-4 which leads to increased levels of glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide(GIP), decreased levels of glucagon, and a stronger insulin response to glucose.

Reported physical properties

溶解度3.40e-02 g/L
LogP1.5

How this substance is indexed

CAS Registry Number486460-32-6
PubChem CID4369359
分子式C16H15F6N5O
IUPAC 名称(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
UNII（FDA）QFP0P1DV7Z

Documented uses

  • Use (kg; approx.) in Germany (2009): >5000
  • Consumption (g per capita; approx.) in Germany (2009): 0.0611
  • Preparation: S. D. Edmondson et al, World Intellectual Property Organization patent 03004498; eidem, United States of America patent 6699871 (2003, 2004 both to Merck & Co).
  • Sitagliptin is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It is not used to treat type 1 diabetes or patients with a history of pancreatitis. It is also used in combination with [metformin] or [ertugliflozin].
  • Sitagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor which is used in combination with diet and exercise in the therapy of type 2 diabetes, either alone or in combination with other oral hypoglycemic agents. Only rare isolated reports of liver injury due to sitagliptin have been published.
  • Breast Feeding; Lactation; Milk, Human; Hypoglycemic Agents; Incretins; Dipeptidyl-Peptidase IV Inhibitors; DPP-4 Inhibitors

Names this substance appears under

Sitagliptin; 486460-32-6; Januvia; Zituvio; sitagliptina; sitagliptine; LEZ763; sitagliptinum; QFP0P1DV7Z; LEZ-763; CHEBI:40237; DTXSID70197572; ZITUVIMET COMPONENT SITAGLIPTIN; RefChem:6227; DTXCID30120063; 690-730-1

Computed molecular descriptors

分子量407.31
XLogP30.7
氢键供体数1
氢键受体数10
可旋转键数4
精确质量407.11807909
单同位素质量407.11807909
拓扑极性表面积77
重原子数28
形式电荷0

Database abstract

Sitagliptin · CAS 486460-32-6 · C16H15F6N5O. UNII QFP0P1DV7Z. 溶解度: 3.40e-02 g/L; LogP: 1.5.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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