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(R)-Sitagliptin rac-Fumarate Adduct (mixture of diastereomers)

Product Code

TRC-S491040

CAS Number

2088771-60-0

Product Format

Neat

Molecular Formula

C20 H19 F6 N5 O5

Molecular Weight

523.38

Product Categories

TRC

Purity

>95% (HPLC)

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

(R)-Sitagliptin rac-Fumarate Adduct (mixture of diastereomers)

CAS Number

2088771-60-0

Molecular Formula

C20 H19 F6 N5 O5

Molecular Weight

523.38

Accurate Mass

523.129

SMILES

OC(=O)CC(N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F)C(=O)O

InChI

InChI=1S/C20H19F6N5O5/c21-11-6-13(23)12(22)4-9(11)3-10(27-14(18(35)36)7-17(33)34)5-16(32)30-1-2-31-15(8-30)28-29-19(31)20(24,25)26/h4,6,10,14,27H,1-3,5,7-8H2,(H,33,34)(H,35,36)/t10-,14?/m1/s1

IUPAC

2-[[(1R)-3-oxo-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-[(2,4,5-trifluorophenyl)methyl]propyl]amino]butanedioic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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