CAS
939999-69-6 Purity
96%
939999-69-6 Purity
96%
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Sitagliptin N-sulfate
CAS
940002-57-3
Catalog Number
ACM940002573
Category
Other Products
Molecular Weight
487.38
Molecular Formula
C16H15F6N5O4S
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Specification
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
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
What is the molecular formula of Sitagliptin N-sulfate?
The molecular formula of Sitagliptin N-sulfate is C16H15F6N5O4S.
What is the molecular weight of Sitagliptin N-sulfate?
The molecular weight of Sitagliptin N-sulfate is 487.4 g/mol.
When was Sitagliptin N-sulfate created?
Sitagliptin N-sulfate was created on July 26, 2010.
When was Sitagliptin N-sulfate last modified?
Sitagliptin N-sulfate was last modified on December 30, 2023.
What is the IUPAC name of Sitagliptin N-sulfate?
The IUPAC name of Sitagliptin N-sulfate is [(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.
What is the InChIKey of Sitagliptin N-sulfate?
The InChIKey of Sitagliptin N-sulfate is AOWQKFDVSZMKPA-SECBINFHSA-N.
What is the canonical SMILES of Sitagliptin N-sulfate?
The canonical SMILES of Sitagliptin N-sulfate is C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)NS(=O)(=O)O.
What is the UNII of Sitagliptin N-sulfate?
The UNII of Sitagliptin N-sulfate is VR8MN4J1VM.
What is the CAS number of Sitagliptin N-sulfate?
The CAS number of Sitagliptin N-sulfate is 940002-57-3.
What is the XLogP3-AA value of Sitagliptin N-sulfate?
The XLogP3-AA value of Sitagliptin N-sulfate is 0.3.
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