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(2S,4R)-Teneligliptin

CAT: 0572-TRC-T018310-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T018310-50MGSize:50 mg
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CAS Number
1404559-15-4
Synonyms
(2S,4R)-Teneligliptin; Methanone, [(2S,4R)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-pyrrolidinyl]-3-thiazolidinyl-; [(2S,4R)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-pyrrolidinyl]-3-thiazolidinylmethanone; (2S,4R)-Teneligliptin; Teneligliptin (
Hazard Statement
No Data Available
Smiles
Cc1cc(N2CCN(CC2)[C@H]3CN[C@@H](C3)C(=O)N4CCSC4)n(n1)c5ccccc5
Molecular Formula
C22 H30 N6 O S
Molecular Weight
426.578
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+/m1/s1
Additionnal Information
IUPAC name: [(2S,4R)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Chemical Information

(2S,4R)-Teneligliptin
CAS Number1404559-15-4
PubChem CID71460148
IUPAC Name[(2S,4R)-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+/m1/s1
InChIKey
WGRQANOPCQRCME-UXHICEINSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-Teneligliptin
CAS: 1404559-15-4
CID: 71460148
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

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Alternative Products

CatalogName
T206299-01(2S,4R) -Teneligliptin
422078-01(2S,4R) -Teneligliptin discontinued
422079(2S,4R) -Teneligliptin-d8
AR-T01431-01Teneligliptin (2S,4R) -Isomer
RM-T142090-01Teneligliptin (2S,4R) -Isomer Impurity
FT171318-01(2R,4R) -Teneligliptin
421773-01(2R,4R) -Teneligliptin-d8
421772-01(2R,4R) -Teneligliptin discontinued
AR-T01430-01Teneligliptin (2R,4R) -Isomer
RM-T142088-01Teneligliptin (2R,4R) -Isomer Impurity

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