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Ticagrelor Related Compound I

CAT: 1299-RM-T030751-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T030751-01Size:10 mg
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CAS Number
2165881-71-8
Synonyms
2- (((3aS,4R,6S,6aR) -6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) oxy) ethanol
Molecular Formula
C10H19NO4
Molecular Weight
217.26
Target Alternative Name
Ticagrelor
Product Name Synonym
2- (((3aS,4R,6S,6aR) -6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) oxy) ethanol

Chemical Information

2-(((3AS,4R,6S,6AR)-6-Amino-2,2-dimethyltetrahydro-4H-cyclopenta[D][1,3]dioxol-4-YL)oxy)ethan-1-OL
CAS Number2165881-71-8
PubChem CID78358204
IUPAC Name2-[[(3aS,4R,6S,6aR)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
Molecular FormulaC10H19NO4
Molecular Weight217.26
XLogP-1
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity233
SMILES
CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)OCCO)N)C
InChI
InChI=1S/C10H19NO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5,11H2,1-2H3/t6-,7+,8+,9-/m0/s1
InChIKey
WNYYMPICYAOQAE-KDXUFGMBSA-N
Chemical Structure
2D Structure
2D structure of 2-(((3AS,4R,6S,6AR)-6-Amino-2,2-dimethyltetrahydro-4H-cyclopenta[D][1,3]dioxol-4-YL)oxy)ethan-1-OL
CAS: 2165881-71-8
CID: 78358204
Formula: C10H19NO4
MW: 217.26
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.26
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass217.13140809
Monoisotopic Mass217.13140809
Topological Polar Surface Area73.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-T02056-01Ticagrelor Related Compound 3
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