Ticagrelor Related Compound 87

CAT: 1596-AR-T02145-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T02145-01Size:10 Units

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CAS Number

274693-55-9

Synonyms

2- (((3aR,4S,6R,6aS) -6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl) oxy) ethanol

Molecular Formula

C10H19NO4

Molecular Weight

217.27

API Name

Ticagrelor

Chemical Information

2-[[(3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

CAS Number	274693-55-9
PubChem CID	9942596
IUPAC Name	2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
Molecular Formula	C10H19NO4
Molecular Weight	217.26
XLogP	-1
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	233

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-/m1/s1

InChIKey

WNYYMPICYAOQAE-RYPBNFRJSA-N

Chemical Structure

2D Structure

CAS: 274693-55-9

CID: 9942596

Formula: C10H19NO4

MW: 217.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.26
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	217.13140809
Monoisotopic Mass	217.13140809
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T05142-01	Ticagrelor Related Compound 43
AR-T02056-01	Ticagrelor Related Compound 3
AR-T02060-01	Ticagrelor Related Compound 7
AR-T02071-01	Ticagrelor Related Compound 16
AR-T02074-01	Ticagrelor Related Compound 19
AR-T02076-01	Ticagrelor Related Compound 21
AR-T02098-01	Ticagrelor Related Compound 43
AR-T02110-01	Ticagrelor Related Compound 55
AR-T02115-01	Ticagrelor Related Compound 60
AR-T02116-01	Ticagrelor Related Compound 61

Catalog	Name
RM-T030757-01	Ticagrelor Related Compound ⅶ
CS-P-08929	Ticagrelor Related Compound 103
CS-P-08788	Ticagrelor Related Compound 40
CS-EO-02804	Ticagrelor Related Compound 91
CS-EO-00311	Ticagrelor Related Compound 49
RM-T030752-01	Ticagrelor Related Compound Ii
RM-T030751-01	Ticagrelor Related Compound I
CS-O-40994	Ticagrelor Related Compound 16
CS-EO-00765	Ticagrelor Related Compound 72
CS-EO-00070	Ticagrelor Related Compound 38