rel-(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine hydrochloride - CAS 1156491-10-9
Catalog: |
BB003595 |
Product Name: |
rel-(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine hydrochloride |
CAS: |
1156491-10-9 |
Synonyms: |
Cyclopropanamine, 2-(3,4-difluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel-; (1R,2S)-rel-2-(3,4-Difluorophenyl)cyclopropanamine hydrochloride |
Related CAS: | 1006614-49-8 (free base)
|
IUPAC Name: | rel-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride |
Description: | rel-(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine hydrochloride is an impurity of Ticagrelor, which is a reversible P2Y12 receptor antagonist used for the prevention of stroke, heart attack and other events in people with acute coronary syndrome, meaning problems with blood supply in the coronary arteries. |
Molecular Weight: | 205.63 |
Molecular Formula: | C9H10ClF2N |
Canonical SMILES: | Cl.FC1=CC=C(C=C1F)C2CC2N |
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+;/s2 |
InChI Key: | IMYLOCHFFLYHPS-HQELLHQONA-N |
Purity: | ≥95% |
Appearance: | White solid |
Storage: | Inert atmosphere, Store in freezer, under -20 ℃ |
LogP: | 3.28170 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
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-110412188-A | A method of the isomer impurities of separation and measurement ticagrelor intermediate | 20180427 |
CN-104788458-A | Preparation method of ticagrelor | 20150321 |
KR-101870918-B1 | Method for preparing ticagrelor and novel intermediate used therefor | 20150122 |
KR-20160090742-A | Method for preparing ticagrelor and novel intermediate used therefor | 20150122 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0469833 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0469833 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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