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Sitagliptin monohydrate

CAS 486460-32-6C16H15F6N5OMW 407.31

Sitagliptin monohydrate (CAS 486460-32-6) — formula C16H15F6N5O, molecular weight 407.31; category chemical intermediates.

Product Description

Sitagliptin monohydrate (CAS 486460-32-6) is a chemical raw material in the chemical intermediates category. Its molecular formula C16H15F6N5O comprises 16 C, 15 H, 6 F, 5 N, 1 O atoms. Its molecular weight is about 407.31. Reported physicochemical data: LogP about 1.5. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number486460-32-6
Molecular FormulaC16H15F6N5O
Molecular Weight407.31
LogP1.5
ApplicationsMEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611
CategoryChemical Intermediates

Applications

Documented applications: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611.

Technical Profile

What this product is

Sitagliptin monohydrate is a chemical intermediate compound with CAS registry number 486460-32-6 and molecular formula C16H15F6N5O (molecular weight 407.31), belonging to the chemical intermediates 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 monohydrate · 西格列汀 · Sitagliptin

Category: chemical intermediates

Frequently Asked Questions

What is the CAS number of Sitagliptin monohydrate?

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

What is the molecular formula and molecular weight of Sitagliptin monohydrate?

Molecular formula C16H15F6N5O, molecular weight 407.31.

What other names is Sitagliptin monohydrate known by?

It is also registered under: Sitagliptin monohydrate, 西格列汀, Sitagliptin.

What are the documented applications of Sitagliptin monohydrate?

Recorded applications: MEDICATION, Hypoglycemic Agents, Use (kg, approx.) in Germany (2009): >5000, Consumption (g per capita, approx.) in Germany (2009): 0.0611.

Which category does Sitagliptin monohydrate belong to?

Category: Chemical Intermediates.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Sitagliptin monohydrate (CAS 486460-32-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number486460-32-6
PubChem CID4369359
Molecular formulaC16H15F6N5O
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
UNII (FDA)QFP0P1DV7Z

Computed descriptors

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
Heavy Atom Count28

Physicochemical values on record

Solubility3.40e-02 g/L
LogP1.5

Documented uses on record

    Use (kg; approx.) in Germany (2009): >5000Consumption (g per capita; approx.) in Germany (2009): 0.0611

    Synonyms and trade names

    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

    Regulatory listings held on file

    GHS notification summary2.4% (1 / 41)

    GHS hazard classification

    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]

    What the public record says

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

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

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