Products 2759438-85-0
CAS 2759438-85-0 is the registry number for Crelosidenib (gentisate). Offered by: MedChemExpress. Available pack sizes: Get quote.
7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one;bis(2,5-dihydroxybenzoic acid) (CAS 2759438-85-0) is a chemical compound with the molecular formula C42H48N6O11 and a molecular weight of 812.9 g/mol. IUPAC name: 7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one;bis(2,5-dihydroxybenzoic acid). InChIKey: XQWBGFYMSJJBDD-JVVPNVHDSA-N.
| Molecular formula | C42H48N6O11 |
|---|---|
| Molecular weight | 812.9 g/mol |
| IUPAC name | 7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one;bis(2,5-dihydroxybenzoic acid) |
| InChIKey | XQWBGFYMSJJBDD-JVVPNVHDSA-N |
| SMILES | CCN1C2=NC(=NC=C2COC1=O)N[C@@H](C)C3=CC=C(C=C3)[C@H](CC4CC4)N5CCN(CC5)C(=O)C=C.C1=CC(=C(C=C1O)C(=O)O)O.C1=CC(=C(C=C1O)C(=O)O)O |
Computed by PubChem (NCBI)