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Ticagrelor Impurity N

CAT: 1596-AR-T02053-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02053-02Size:100 Units
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CAS Number
1643378-47-5
Synonyms
(1S,2S,3R,5S) -3- (7- (((1R,2S) -2- (4-fluorophenyl) cyclopropyl) amino) -5- (propylthio) -3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl) -5- (2-hydroxyethoxy) cyclopentane-1,2-diol
Molecular Formula
C23H29FN6O4S
Molecular Weight
504.59
API Name
Ticagrelor

Chemical Information

Ticagrelor Impurity N
CAS Number1643378-47-5
PubChem CID134324167
IUPAC Name(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular FormulaC23H29FN6O4S
Molecular Weight504.6
XLogP1.9
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity694
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
InChI
InChI=1S/C23H29FN6O4S/c1-2-9-35-23-26-21(25-15-10-14(15)12-3-5-13(24)6-4-12)18-22(27-23)30(29-28-18)16-11-17(34-8-7-31)20(33)19(16)32/h3-6,14-17,19-20,31-33H,2,7-11H2,1H3,(H,25,26,27)/t14-,15+,16+,17-,19-,20+/m0/s1
InChIKey
ASMJTLOWUSPYAW-NGIYPOHESA-N
Chemical Structure
2D Structure
2D structure of Ticagrelor Impurity N
CAS: 1643378-47-5
CID: 134324167
Formula: C23H29FN6O4S
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass504.19550276
Monoisotopic Mass504.19550276
Topological Polar Surface Area164 Ų
Heavy Atom Count35
Formal Charge0
Complexity694
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

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