| CAS Number | 1246820-73-4 |
| Catalog Number | AG009FON(AGN-PC-0WBMD9) |
| Chemical Name | 6,7,8,9-Tetrahydro carvedilol |
| IUPAC Name | 1-[2-(2-methoxyphenoxy)ethylamino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol |
| InChI | InChI=1S/2C24H30N2O4/c2*1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2*4-6,9-12,17,25-27H,2-3,7-8,13-16H2,1H3 |
| InChI Key | NLPSTAJZEPSMTG-UHFFFAOYSA-N |
| MDL Number | MFCD18379628 |
| Molecular Formula | C24H30N2O4 |
| Molecular Weight | 410.5060 |
| SMILES | COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4CCCCc4c23 |
| Synonyms | 6,7,8,9-Tetrahydro Carvedilol,
1246820-73-4,
DTXSID60858448,
PUBCHEM_71752440,
FT-0674981,
1-[[2-(2-Methoxyphenoxy)ethyl]amino]-3-[(2,3,4,9-tetrahydro-1H-carbazol-5-yl)oxy]-2-propanol,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 820.441g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 60 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 821.028g/mol |
| Monoisotopic Mass | 820.441g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number