Lilodidine - CAS 5840-01-7
Catalog: |
BB060460 |
Product Name: |
Lilodidine |
CAS: |
5840-01-7 |
Synonyms: |
5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline; 1,7-Trimethyleneindol; 1,8-Trimethyleneindole; 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline; 1,7-(1,3-Propanediyl)-indole |
IUPAC Name: | 1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene |
Description: | Acts as a reagent primarily in reactions of ring-expansions with indoles. |
Molecular Weight: | 157.21 |
Molecular Formula: | C11H11N |
Canonical SMILES: | C1CC2=CC=CC3=C2N(C1)C=C3 |
InChI: | InChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4,6,8H,2,5,7H2 |
InChI Key: | QCCKSFHMARIKSK-UHFFFAOYSA-N |
References: | Shi, Z. et al. Angew. Chem. Int. Edit., 49, 4036 (2010). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-114085216-A | Synthetic method of alkenyl indole derivatives | 20211115 |
WO-2021076572-A1 | Ergoline-like compounds for promoting neural plasticity | 20191014 |
CN-109180684-A | A kind of double aryl class compounds and preparation method thereof | 20180928 |
CN-109180684-B | Diaryl compound and preparation method thereof | 20180928 |
CN-110272420-A | Deuterated 3- (4,5- substituted-amino pyrimidine) phenyl compound list Mesylate Form and preparation method thereof | 20180316 |
WO-2019174623-A1 | Crystal form of monomethanesulfonate of deuterated 3-(4,5-substituted aminopyrimidine)phenyl compound, and preparation method therefor | 20180316 |
US-2021053971-A1 | Crystal form of monomethanesulfonate of deuterated 3-(4,5-substituted aminopyrimidine)phenyl compound and preparation method therefor | 20180316 |
JP-2021516243-A | Crystal form of monomethanesulfonate of deuterated 3- (4,5-substituted aminopyrimidine) phenyl compound and its preparation method | 20180316 |
AU-2017326029-B2 | Deuterated 3-(4,5-substituted pyrimidinamine) phenyl derivatives and applications thereof | 20160919 |
EP-3498708-A1 | Deuterated 3-(4,5-substituted pyrimidinamine) phenyl derivatives and applications thereof | 20160919 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.089149355 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 4.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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