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Chemical structure of Teneligliptin D8

GC62280

Teneligliptin D8

Also known as [(2S,4S)-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Teneligliptin D8 (MP-513 D8) a deuterium labeled Teneligliptin (MP-513)

ChemicalCAS1391012-95-5MW434.63FormulaC22H22D8N6OS
CAS number
1391012-95-5
Molecular weight
434.63
Formula
C22H22D8N6OS
InChIKey
WGRQANOPCQRCME-POOPOPQESA-N
Catalogue number
GC62280
Brand
GLPBIO
Computed properties PubChem CID 89909143 · XLogP 2.4 · TPSA 81.9 Ų · H-bond donors 1
XLogP
2.4
TPSA
81.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

SMILES [2H]C1(C(N(C(C(N1[C@H]2C[C@H](NC2)C(=O)N3CCSC3)([2H])[2H])([2H])[2H])C4=CC(=NN4C5=CC=CC=C5)C)([2H])[2H])[2H]

Computed descriptors from PubChem (CID 89909143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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