Ticagrelor Related Compound 107 - CAS 376608-71-8
Catalog: |
BB023378 |
Product Name: |
Ticagrelor Related Compound 107 |
CAS: |
376608-71-8 |
Synonyms: |
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2R)-2-hydroxy-2-phenylacetic acid |
IUPAC Name: | (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine (R)-2-hydroxy-2-phenylacetate |
Description: | An impurity of Ticagrelor which is a reversible P2Y12 receptor antagonist and is unique in its greater and more rapid and consistent, yet reversible, inhibition of the ADP receptor. |
Molecular Weight: | 321.32 |
Molecular Formula: | C17H17F2NO3 |
Canonical SMILES: | C1C(C1N)C2=CC(=C(C=C2)F)F.C1=CC=C(C=C1)C(C(=O)O)O |
InChI: | InChI=1S/C9H9F2N.C8H8O3/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h1-3,6,9H,4,12H2;1-5,7,9H,(H,10,11)/t6-,9+;7-/m01/s1 |
InChI Key: | GUESUQPLVFMJIT-KLTOLQSASA-N |
Purity: | 95 % |
Solubility: | Soluble in DMSO |
Appearance: | Solid |
Storage: | Store at -20 ℃ |
MDL: | MFCD21362980 |
LogP: | 3.28430 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111233673-A | Preparation method of chiral aromatic cyclopropylamine and salts thereof and used intermediate | 20200226 |
CN-110862382-A | Improved preparation method of ticagrelor intermediate | 20191206 |
CN-108892670-B | Preparation method of high-purity ticagrelor | 20180712 |
CN-109553622-A | A kind of preparation method of ticagrelor impurity | 20170927 |
CN-109387578-A | The method for detecting (1R, 2S) -2- (3,4- difluorophenyl) cyclopropylamine in ticagrelor | 20170811 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.11764973 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.11764973 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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