9,10-Dihydroxy-3-isobutyl-3,4,6,7-tetrahydropyrido[2,1-a]isoquinolin-2(11bH)-one - CAS 89929-27-1
Catalog: |
BB039689 |
Product Name: |
9,10-Dihydroxy-3-isobutyl-3,4,6,7-tetrahydropyrido[2,1-a]isoquinolin-2(11bH)-one |
CAS: |
89929-27-1 |
Synonyms: |
9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one; 9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one |
IUPAC Name: | 9,10-dihydroxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one |
Description: | 9,10-Dihydroxy-3-isobutyl-3,4,6,7-tetrahydropyrido[2,1-a]isoquinolin-2(11bH)-one (CAS# 89929-27-1) is a useful research chemical compound. |
Molecular Weight: | 289.37 |
Molecular Formula: | C17H23NO3 |
Canonical SMILES: | CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)O)O |
InChI: | InChI=1S/C17H23NO3/c1-10(2)5-12-9-18-4-3-11-6-16(20)17(21)7-13(11)14(18)8-15(12)19/h6-7,10,12,14,20-21H,3-5,8-9H2,1-2H3 |
InChI Key: | HKXSWCIZVQFEQQ-UHFFFAOYSA-N |
LogP: | 2.57000 |
Publication Number | Title | Priority Date |
WO-2021027792-A1 | Vmat2 inhibitor and preparation method therefor and application thereof | 20190812 |
US-10479787-B2 | Process for preparation of tetrabenazine and deutetrabenazine | 20160422 |
US-2019135803-A1 | Novel process for preparation of tetrabenazine and deutetrabenazine | 20160422 |
WO-2017182916-A1 | Novel process for preparation of tetrabenazine and deutetrabenazine | 20160422 |
WO-2012081031-A1 | Process for preparing tetrabenazine | 20101215 |
Complexity: | 398 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.1677936 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.8 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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