Products 2474076-02-1

CAS 2474076-02-1 appears in our catalog under these names: RapaBlock, RapaBlock, 98.0%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5mg, 50 mg, 25 mg, 10mM/1mL, 10 mg, 5 mg.

Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-[3-(1-oxidopyridin-1-ium-2-yl)propyl]-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CAS 2474076-02-1) is a chemical compound with the molecular formula C49H74N2O13 and a molecular weight of 899.1 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-[3-(1-oxidopyridin-1-ium-2-yl)propyl]-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone. InChIKey: IYSZVJNYZFPLJF-SMZOFQQGSA-N.

Identity
Molecular formulaC49H74N2O13
Molecular weight899.1 g/mol
IUPAC name(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-[3-(1-oxidopyridin-1-ium-2-yl)propyl]-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChIKeyIYSZVJNYZFPLJF-SMZOFQQGSA-N
SMILESC[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(\C1)/C)CCCC4=CC=CC=[N+]4[O-])O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC

Computed by PubChem (NCBI)

Synonyms: RapaBlock