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Ticagrelor EP Impurity E (hydrochloride)

CAT: 0804-HY-I0180A-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-I0180A-01Size:1 g
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Description
Ticagrelor EP Impurity E hydrochloride is a conformationally restricted phenethylamine.
CAS Number
1402222-66-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ticagrelor-ep-impurity-e-hydrochloride.html
Purity
99.96
Smiles
N[C@H]1[C@H](C2=CC(F)=C(C=C2)F)C1.Cl
Molecular Formula
C9H10ClF2N
Molecular Weight
205.63
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
CAS Number1402222-66-5
PubChem CID52914940
IUPAC Nametrans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
Molecular FormulaC9H10ClF2N
Molecular Weight205.63
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.Cl
InChI
InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1
InChIKey
IMYLOCHFFLYHPS-RDNZEXAOSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
CAS: 1402222-66-5
CID: 52914940
Formula: C9H10ClF2N
MW: 205.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass205.0469833
Monoisotopic Mass205.0469833
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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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)
CS-O-61566Ticagrelor Impurity 27
CS-O-47146Ticagrelor Impurity 39
CS-O-39777Ticagrelor Impurity 21
CS-O-13900Ticagrelor Impurity 7
CS-O-13898Ticagrelor Impurity 5
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