Products for Research Use Only
RegisterLogin

Ticagrelor (2R) -Epimer

CAT: 1596-AR-T02150-02Size: 50 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-T02150-02Size:50 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2056269-94-2
Synonyms
(1S,2S,3R,5S) -3- (7- (((1R,2R) -2- (3,4-difluorophenyl) cyclopropyl) amino) -5- (propylthio) -3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl) -5- (2-hydroxyethoxy) cyclopentane-1,2-diol
Molecular Formula
C23H28F2N6O4S
Molecular Weight
522.57
API Name
Ticagrelor

Chemical Information

(1S,2S,3R,5S)-3-(7-(((1R,2R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CAS Number2056269-94-2
PubChem CID96367859
IUPAC Name(1S,2S,3R,5S)-3-[7-[[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular FormulaC23H28F2N6O4S
Molecular Weight522.6
XLogP2
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity736
SMILES
CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@@H]4C5=CC(=C(C=C5)F)F
InChI
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15-,16-,17+,19+,20-/m1/s1
InChIKey
OEKWJQXRCDYSHL-AVDPAMPWSA-N
Chemical Structure
2D Structure
2D structure of (1S,2S,3R,5S)-3-(7-(((1R,2R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CAS: 2056269-94-2
CID: 96367859
Formula: C23H28F2N6O4S
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass522.18608089
Monoisotopic Mass522.18608089
Topological Polar Surface Area164 Ų
Heavy Atom Count36
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-T02062-01Ticagrelor (1S) -Epimer
AR-L01845-01Lopinavir (2R) Epimer
AR-P32253-01Pralatrexate Epimer
AR-I01982-01Itraconazole Epimer
AR-M03551-01Micafungin epimer
AR-T02045-01Ticagrelor
AR-G01988-01A-isosaccharinic acid epimer
AR-C02255-01Cephalexin 7-Epimer
AR-S09378-01Spironolactone Epimer Mixture
AR-S02211-01Monosulfoxide Epimer A Sugammadex

Alternative Products

CatalogName
TRC-D232260-1MGTicagrelor Epimer
CS-O-33207Ticagrelor 5-Epimer
421621-012R-epi-Ticagrelor
CS-O-36527Ticagrelor (1R,2R) -isomer
TRC-T437685-10MG(1R,2R,3S)-Ticagrelor
TRC-T399150-25MG(1R,2R)-Ticagrelor Impurity
TRC-T445310-500MG(1S,2R)-Ticagrelor Acetonide
CS-EO-03071Ticagrelor (1R,2R,3S,5S) Isomer
CS-O-57383Ticagrelor (1R,2R,3S,5R) 7- (1R,2R) -Isomer
CS-EO-03070Ticagrelor (1R,2R,3R,5S) Isomer

Popular Products