Products 1949840-87-2
CAS 1949840-87-2 is the registry number for BCL-XL-IN-3. Offered by: MedChemExpress. Available pack sizes: 1 mg, 10 mg, 5 mg, 25 mg.
6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid (CAS 1949840-87-2) is a chemical compound with the molecular formula C46H55N7O6S and a molecular weight of 834.0 g/mol. IUPAC name: 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid. InChIKey: JDRWPKNPESVAQP-KECZKBMKSA-N.
| Molecular formula | C46H55N7O6S |
|---|---|
| Molecular weight | 834.0 g/mol |
| IUPAC name | 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[(3S)-3,4-dihydroxybutyl]amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid |
| InChIKey | JDRWPKNPESVAQP-KECZKBMKSA-N |
| SMILES | CC1=C(C=NN1CC23CC4(CC(C2)(CC(C4)(C3)OCCNCC[C@@H](CO)O)C)C)C5=C(N=C(C=C5)N6CCC7=C(C6)C(=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb2814311