Products 133868-46-9

CAS 133868-46-9 appears in our catalog under these names: Valnemulin hydrochloride, 98%, Valnemulin HCl, Valnemulin Hydrochloride, >95% (HPLC), Valnemulin hydrochloride, Valnemulin hydrochloride/ 99.83% (existing batch purity). Offered by: Combi-blocks, Chemat Brand, TRC, Dr. Ehrenstorfer, TargetMol. Available pack sizes: 1g, 5g, on request, 100mg, 10mg, 50mg, 25mg, 200mg.

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

[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride (CAS 133868-46-9) is a chemical compound with the molecular formula C31H53ClN2O5S and a molecular weight of 601.3 g/mol. IUPAC name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride. InChIKey: MFBPRQKHDIVLOJ-AFFLPQGKSA-N.

Identity
Molecular formulaC31H53ClN2O5S
Molecular weight601.3 g/mol
IUPAC name[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride
InChIKeyMFBPRQKHDIVLOJ-AFFLPQGKSA-N
SMILESC[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C.Cl

Computed by PubChem (NCBI)