Acetic acid, 2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, hydrochloride (1:1), 98%+,RG, 98%+,RG

cas: 133868-46-9 — see every product listed under this CAS number, including other names

Acetic acid, 2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, hydrochloride (1:1), 98%+,RG, 98%+,RG (CAS 133868-46-9) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 1g, 5g. Offered by: Chemat.

• 2D
• 3D

[(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 formula	C31H53ClN2O5S
Molecular weight	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
SMILES	C[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)

Synonyms: Valnemulin hydrochloride, Valnemulin HCl, Econor, Valnemulin hydrochloride [MI], C31H53ClN2O5S, Valnemulin Hydrocloride, Valnemulin hydrochloride CRS, orb1222743, Valnemulin hydrochloride 100 |Ig/mL in Acetonitrile, Valnemulin hydrochloride 100 microg/mL in Acetonitrile