Solifenacin EP Impurity A - CAS 118864-75-8
Catalog: |
BB004319 |
Product Name: |
Solifenacin EP Impurity A |
CAS: |
118864-75-8 |
Synonyms: |
(1S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline; (+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline; (S)-(+)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline |
IUPAC Name: | (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline |
Description: | An impurity of Solifenacin. Solifenacin is a muscarinic M3 receptor antagonist for treating contraction of overactive bladder with associated problems such as increased urination frequency and urge incontinence. |
Molecular Weight: | 209.29 |
Molecular Formula: | C15H15N |
Canonical SMILES: | C1CNC(C2=CC=CC=C21)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m0/s1 |
InChI Key: | PRTRSEDVLBBFJZ-HNNXBMFYSA-N |
Boiling Point: | 338 °C |
Melting Point: | 87-91 °C |
Purity: | 99 % |
Density: | 1.065 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD08692036 |
LogP: | 3.25050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113200979-A | Synthesis process of solifenacin succinate | 20210413 |
CN-112552237-A | Refining method of solifenacin intermediate | 20201223 |
CN-112142663-A | Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20201022 |
CN-111925266-A | Preparation method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline | 20200701 |
CN-212119073-U | Vacuum distillation device for solicin raw material medicine | 20200407 |
PMID | Publication Date | Title | Journal |
12773054 | 20030605 | Neuromuscular blocking activity and therapeutic potential of mixed-tetrahydroisoquinolinium halofumarates and halosuccinates in rhesus monkeys | Journal of medicinal chemistry |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.120449483 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.120449483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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