Sitagliptin N-sulfate

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Catalog Number
ACM940002573
Product Name
Sitagliptin N-sulfate
Structure
Structure
CAS
940002-57-3
Category
Heterocyclic Organic Compound
Synonyms
N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]sulfamic Acid;
IUPAC Name
[(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]sulfamic acid
Molecular Weight
487.38
Molecular Formula
C16H15F6N5O4S
Canonical SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)NS(=O)(=O)O
InChI Key
AOWQKFDVSZMKPA-SECBINFHSA-N
Density
1.755g/cm³
Exact Mass
487.07500
H-Bond Acceptor
13
H-Bond Donor
2
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