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API Process Intermediates & Related Compounds

3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid

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3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid chemical structure
CAS number2137530-88-0
FormulaC18H19F6N5O3
Molar mass467.4 g/mol
Physical formSolid
HS code2933
InChIKeyQNZXUPWGBGAKRR-UHFFFAOYSA-N
IUPAC nameacetic acid;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

About 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid

3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid sits in our API Process Intermediates & Related Compounds section and ships worldwide from stock or short lead time. For your records, the material is defined by CAS 2137530-88-0, formula C18H19F6N5O3 and molar mass 467.4 g/mol. It is handled as a solid.

Common uses in the lab and plant

  • API route development
  • Impurity fate & purge studies
  • Analytical method development
  • Fine chemical synthesis

Safe handling

It carries the GHS signal word Warning (H302, H315, H319 and H335), so wear gloves and eye protection and work with good ventilation.

Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. Every shipment includes a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.

Reference standards for Salbutamol

See every impurity, metabolite and related compound we list for this API.

Salbutamol standards

Typical uses

  • API route development
  • Impurity fate & purge studies
  • Analytical method development
  • Fine chemical synthesis

Applications

Specifications and identifiers

Specifications of 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid
Product name3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid
Catalogue numberZX-044911
CAS number2137530-88-0
IUPAC nameacetic acid;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 formulaC18H19F6N5O3
Molar mass467.4 g/mol
Exact mass467.1392
Physical formSolid
H-bond donors / acceptors2 / 12
Topological polar surface area114 Ų
HS code2933
InChIKeyQNZXUPWGBGAKRR-UHFFFAOYSA-N
SMILESCC(=O)O.C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
PubChem CID74930499
Synonymsrac-Sitagliptin Acetate

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • H302Harmful if swallowed
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid

Which CAS number identifies 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid?
3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid is registered under CAS 2137530-88-0. You may also see it listed as rac-Sitagliptin Acetate. Our catalogue number for this item is ZX-044911.
What are the formula and molar mass of 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid?
For 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid, its formula is C18H19F6N5O3 and its molar mass is 467.4 g/mol. InChIKey QNZXUPWGBGAKRR-UHFFFAOYSA-N lets you match it in any structure database.
How is 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid used in pharmaceutical QC?
3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid is a characterised reference material linked to Salbutamol. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid to my country?
Yes. Because 3-Amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, acetic acid is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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