Ticagrelor Related Compound 4

CAT: 1596-AR-T02057-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T02057-01Size:10 Units

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CAS Number

1446475-48-4

Synonyms

6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol; (6-Aminotetrahydro-2,2-Dimethyl-4H-Cyclopenta-1.3-dioxol-4-ol)

Molecular Formula

C8H15NO3

Molecular Weight

173.21

API Name

Ticagrelor

Chemical Information

6-Amino-2,2-dimethyltetrahydro-3AH-cyclopenta[D][1,3]dioxol-4-OL

CAS Number	1446475-48-4
PubChem CID	14860599
IUPAC Name	6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Molecular Formula	C8H15NO3
Molecular Weight	173.21
XLogP	-0.8
Topological Polar Surface Area	64.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	195

SMILES

CC1(OC2C(CC(C2O1)O)N)C

InChI

InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3

InChIKey

AXPYGRDXRLICKY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1446475-48-4

CID: 14860599

Formula: C8H15NO3

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	173.10519334
Monoisotopic Mass	173.10519334
Topological Polar Surface Area	64.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
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-14123	Ticagrelor Related Compound B
CS-P-08789	Ticagrelor Related Compound 46
CS-EO-01857	Ticagrelor Related Compound 99