2,3,6,7-Tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one - CAS 61196-37-0
Catalog: |
BB030992 |
Product Name: |
2,3,6,7-Tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one |
CAS: |
61196-37-0 |
Synonyms: |
1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one; 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one |
IUPAC Name: | 1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one |
Description: | Praziquanamine, as the main intermediate for synthesizing antiparasitic agent Praziquantel (P702095). |
Molecular Weight: | 202.25 |
Molecular Formula: | C12H14N2O |
Canonical SMILES: | C1CN2C(CNCC2=O)C3=CC=CC=C31 |
InChI: | InChI=1S/C12H14N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,11,13H,5-8H2 |
InChI Key: | GTRDOUXISKJZGL-UHFFFAOYSA-N |
Density: | 1.24±0.1 g/cm3 (20 °C 760 Torr) |
LogP: | 0.98230 |
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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020127602-A1 | Conjugates | 20181218 |
EP-3897737-A1 | Conjugates | 20181218 |
KR-20210106496-A | conjugate | 20181218 |
US-2020071277-A1 | Photoreactive ligands and uses thereof | 20170118 |
EP-3235815-A1 | Agents against parasitic helminths | 20160419 |
PMID | Publication Date | Title | Journal |
15113313 | 20040501 | Human fascioliasis | Clinical microbiology and infection : the official publication of the European Society of Clinical Microbiology and Infectious Diseases |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.110613074 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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