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Teneligliptin

CAT: 0926-FT150538-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FT150538-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
760937-92-6
MDL Number
MFCD13195565
Smiles
CC1=NN (C (=C1) N2CCN (CC2) [C@H]3C[C@H] (NC3) C (=O) N4CCSC4) C5=CC=CC=C5
Molecular Formula
C22H30N6OS
Molecular Weight
426.58 g/mol
Controlled
No

Chemical Information

Teneligliptin

Teneligliptin is an amino acid amide.

CAS Number760937-92-6
PubChem CID11949652
IUPAC Name[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
Molecular FormulaC22H30N6OS
Molecular Weight426.6
XLogP2.4
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity594
SMILES
CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5
InChI
InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
InChIKey
WGRQANOPCQRCME-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of Teneligliptin
CAS: 760937-92-6
CID: 11949652
Formula: C22H30N6OS
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass426.22018078
Monoisotopic Mass426.22018078
Topological Polar Surface Area81.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T37522-01Teneligliptin
HY-14806S2Teneligliptin-d5
MBS3840965-01Teneligliptin hydrobromide
RM-T142095-01Teneligliptin D8
TRC-T018302-100MGTeneligliptin-d8
A15505-250Teneligliptin 250mg

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