N-Acetyl Sitagliptin-d3

CAT: 1459-CS-T-64537Size: 1 EachDry Ice: NoHazardous: No

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Description

N-Acetyl Sitagliptin-d3 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Sitagliptin. The product is supplied by Clearsynth under CAT No. CS-T-64537. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.

Overview

Useful research chemical for a range of applications.

CAS Number

1795785-80-6

Synonyms

N-Acetyl Sitagliptin-d3

Molecular Formula

C 18 H 13 D 3 F 6 N 5 O 2

Molecular Weight

452.37

Additionnal Information

N-Acetyl Sitagliptin-d3 is supplied with detailed characterization data compliant with regulatory guideline. N-Acetyl Sitagliptin-d3 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Sitagliptin.

Storage Conditions

Refer MSDS for complete information.

Applications Notes

Useful research chemical for a range of applications.

HSN Code

38229010

Hazard Compound

Refer MSDS for accurate information.

Chemical Information

N-Acetyl Sitagliptin-d3

CAS Number	1795785-80-6
PubChem CID	71312992
IUPAC Name	2,2,2-trideuterio-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]acetamide
Molecular Formula	C18H17F6N5O2
Molecular Weight	452.4
XLogP	1
Topological Polar Surface Area	80.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	668

SMILES

[2H]C([2H])([2H])C(=O)N[C@H](CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2

InChI

InChI=1S/C18H17F6N5O2/c1-9(30)25-11(4-10-5-13(20)14(21)7-12(10)19)6-16(31)28-2-3-29-15(8-28)26-27-17(29)18(22,23)24/h5,7,11H,2-4,6,8H2,1H3,(H,25,30)/t11-/m1/s1/i1D3

InChIKey

YGFMQPHTQKCJPI-KMKPOHAJSA-N

Chemical Structure

2D Structure

CAS: 1795785-80-6

CID: 71312992

Formula: C18H17F6N5O2

MW: 452.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	452.4
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	452.14747401
Monoisotopic Mass	452.14747401
Topological Polar Surface Area	80.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	668
Isotope Atom Count	3
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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N-Acetyl Sitagliptin-d3

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