| CAS Number | 1198090-73-1 |
| Catalog Number | AG008WPL(AGN-PC-0WOZP7) |
| Chemical Name | 1-{[9-(2-hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propyl)-9H-carbazol-4-yl]oxy}-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol |
| IUPAC Name | 1-[4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]carbazol-9-yl]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol |
| InChI | InChI=1S/C36H43N3O7/c1-42-31-13-5-7-15-33(31)44-20-18-37-22-26(40)24-39-29-11-4-3-10-28(29)36-30(39)12-9-17-35(36)46-25-27(41)23-38-19-21-45-34-16-8-6-14-32(34)43-2/h3-17,26-27,37-38,40-41H,18-25H2,1-2H3 |
| InChI Key | BUCQRVKKTLMWQH-UHFFFAOYSA-N |
| MDL Number | MFCD20264905 |
| Molecular Formula | C36H43N3O7 |
| Molecular Weight | 629.7425 |
| SMILES | OC(COC1=CC=CC2=C1C3=CC=CC=C3N2CC(O)CNCCOC=4C=CC=CC4OC)CNCCOC=5C=CC=CC5OC |
| Synonyms | 1198090-73-1,
1-[4-(2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propoxy)-9H-carbazol-9-yl]-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol,
Carvedilol impurity A (PhEur),
Carvedilol Related Compound A (USP),
1-(4-(2-Hydroxy-3-(2-(2-methoxyphenoxy)ethylamino)propoxy)-9H-carbazol-9-yl)-3-(2-(2-methoxyphenoxy)ethylamino) propan-2-ol,
A1-02993,
N-2-Hydroxy-3-[[2-(methoxyphenoxy)ethyl]amine Carvedilol,
Carvedilol Related Compound A, United States Pharmacopeia (USP) Reference Standard,
1-[[9-[2-Hydroxy-3-[[2-(2-methoxy-phenoxy)ethyl]amino]propyl]-9H-carbazol-4-yl]oxy]-3-[[2-(2-methoxyphenoxy)ethyl]amino]-propan-2-ol,
1-[4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]carbazol-9-yl]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol,
1-{{9-{2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propyl}-9H-carbazol-4-yl}oxy}-3-{[2-(2-methoxyphenoxy)ethyl]amino}-2-propanol,
1-{{9-{2-Hydroxy-3-{[2-(2-methoxyphenoxy)ethyl]amino}propyl}-9H-carbazol-4-yl}oxy}-3-{[2-(2-methoxyphenoxy)ethyl]amino}-2-propanol, >=85.0% (HPLC), pharmaceutical impurity standard,
9-[6-(2-Methoxyphenoxy)-2-hydroxy-4-azahexane-1-yl]-4-[6-(2-methoxyphenoxy)-2-hydroxy-4-azahexane-1-yloxy]-9H-carbazole,
Carvedilol impurity A,
Carvedilol Related Compound A,
UNII-6620C9WP3N,
6620C9WP3N,
|
| Complexity | 841 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 629.31g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 629.754g/mol |
| Monoisotopic Mass | 629.31g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number