3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one - CAS 63234-80-0
Catalog: |
BB032067 |
Product Name: |
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one |
CAS: |
63234-80-0 |
Synonyms: |
3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one; 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
IUPAC Name: | 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one |
Description: | An impurirty of Risperidone,Risperidone is a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist. |
Molecular Weight: | 226.70 |
Molecular Formula: | C11H15ClN2O |
Canonical SMILES: | CC1=C(C(=O)N2CCCCC2=N1)CCCl |
InChI: | InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3 |
InChI Key: | CMWCQQUYLPYOMY-UHFFFAOYSA-N |
Boiling Point: | 337 ℃ |
Melting Point: | 72-80 ℃ |
Purity: | 99 % |
Density: | 1.3 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD06200813 |
LogP: | 1.66930 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112794849-A | Synthetic method of 3- (2-chloroethyl) -2-methyl-4H-pyrido [1,2-a ] pyrimidine-4-ketone | 20201231 |
KR-20210053246-A | Tricyclic compound and pharmaceutical use thereof | 20191031 |
WO-2021086133-A1 | Tricyclic compound and pharmaceutical use thereof | 20191031 |
CN-109438443-A | The preparation method of Risperidone | 20181224 |
AU-2015226578-A1 | Heterocyclic compounds, process for preparation of the same and use thereof | 20140307 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0872908 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0872908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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