| CAS Number | 1433286-70-4 |
| Catalog Number | AG01E23D |
| Chemical Name | 3-(3-Aminopropoxy)-N-[2-[[3-[[(4-chloro-2-hydroxyphenyl)amino]carbonyl]-2-naphthalenyl]oxy]ethyl]-2-naphthalenecarboxamideHydrochloride |
| IUPAC Name | 3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C33H30ClN3O5.ClH/c34-25-10-11-28(29(38)20-25)37-33(40)27-17-22-7-2-4-9-24(22)19-31(27)42-15-13-36-32(39)26-16-21-6-1-3-8-23(21)18-30(26)41-14-5-12-35;/h1-4,6-11,16-20,38H,5,12-15,35H2,(H,36,39)(H,37,40);1H |
| InChI Key | LELLCPHHYHLWBH-UHFFFAOYSA-N |
| MDL Number | MFCD30182343 |
| Molecular Formula | C33H31Cl2N3O5 |
| Molecular Weight | 620.5223 |
| SMILES | Cl.NCCCOC=1C(=CC2=CC=CC=C2C1)C(=O)NCCOC1=CC2=CC=CC=C2C=C1C(NC1=C(C=C(C=C1)Cl)O)=O |
| Synonyms | 1433286-70-4,
CHEMBL3580934,
AKOS027470247,
CS-6499,
HY-101120,
3-(3-Aminopropoxy)-N-[2-[[3-[[(4-chloro-2-hydroxyphenyl)amino]carbonyl]-2-naphthalenyl]oxy]ethyl]-2-naphthalenecarboxamide hydrochloride,
3-(3-Aminopropoxy)-N-[2-[[3-[[(4-chloro-2-hydroxyphenyl)amino]carbonyl]-2-naphthalenyl]oxy]ethyl]-2-naphthalenecarboxamideHydrochloride,
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| Complexity | 879 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 619.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 620.527g/mol |
| Monoisotopic Mass | 619.164g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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