Products for Research Use Only
RegisterLogin

Ticagrelor impurity 7

CAT: 0013-GTR19281479-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19281479-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ticagrelor impurity 7 is an impurity associated with Ticagrelor.
CAS Number
274693-39-9
Smiles
N (C1=C2C (N (N=N2) [C@@H]3C[C@H] (OCCO) [C@@H] (O) [C@H]3O) =NC (S (CCC) (=O) =O) =N1) [C@H]4[C@@H] (C4) C5=CC (F) =C (F) C=C5
Molecular Formula
C23H28F2N6O6S
Molecular Weight
554.57
Notes
For research use only.

Chemical Information

1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylsulfonyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
CAS Number274693-39-9
PubChem CID78358175
IUPAC Name(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfonyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular FormulaC23H28F2N6O6S
Molecular Weight554.6
XLogP0.8
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity919
SMILES
CCCS(=O)(=O)C1=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/C23H28F2N6O6S/c1-2-7-38(35,36)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(37-6-5-32)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+/m0/s1
InChIKey
LRDWQLSHMNMZAJ-FNOIDJSQSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylsulfonyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
CAS: 274693-39-9
CID: 78358175
Formula: C23H28F2N6O6S
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP30.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass554.17591013
Monoisotopic Mass554.17591013
Topological Polar Surface Area181 Ų
Heavy Atom Count38
Formal Charge0
Complexity919
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
GTR19280876-01Ticagrelor impurity 14
GTR19280864-01Ticagrelor impurity 22
GTR19280751-01Ticagrelor impurity 10
GTR19280699-01Ticagrelor impurity 6
GTR19280601-01Ticagrelor impurity 25
GTR19280598-01Ticagrelor impurity 2
GTR19280580-01Ticagrelor impurity 5
GTR19280920-01Ticagrelor impurity 12
GTR19280798-01Ticagrelor impurity 8
GTR19280775-01Ticagrelor impurity 26

Alternative Products

CatalogName
RM-T030701-01Ticagrelor Impurity A (Ticagrelor Enantiomer)
CS-O-06349Ticagrelor Impurity A
CS-O-34532TICAGRELOR IMPURITY
AR-T02050-01Ticagrelor Impurity G (Ticagrelor Metabolite)
HY-Z4408-01Ticagrelor impurity 89
HY-77964-01Ticagrelor impurity 11
CS-O-61566Ticagrelor Impurity 27
CS-O-47146Ticagrelor Impurity 39
CS-O-39777Ticagrelor Impurity 21
CS-O-13900Ticagrelor Impurity 7

Popular Products