CAS Number
Molecular Formula
C31H52N2O5S.HCl
Product format
Neat
Molecular Weight
564.83 36.46
Storage
-20°C
Shipping
Room Temperature
API Family
Synonyms
Valnemulin hydrochloride; 133868-46-9; UNII-W1GDP58BNQ; W1GDP58BNQ; DTXSID30158407; RefChem:56296; DTXCID8080898; ((2-((R)-2-Amino-3-methylbutyramido)-1, 1-dimethylethyl)thio)acetic Acid, 8-ester with (3aS, 4R, 5S, 6S, 8R, 9R, 9aR, 10R)-octahydro-5, 8-dihydroxy-4, 6, 9, 10-tetramethyl-6-vinyl-3a, 9-propano-3ah-cyclopentacycloocten-1(4H)-one Hydrochloride; Valnemulin HCl; Econor; Valnemulin hydrochloride [MI]; MFCD08458958; ((2-((R)-2-Amino-3-methylbutyramido)-1, 1-dimethylethyl)thio)acetic acid, 8-ester with (3aS, 4R, 5S, 6S, 8R, 9R, 9aR, 10R)-octahydro-5, 8- dihydroxy-4, 6, 9, 10-tetramethyl-6-vinyl-3a, 9-propano-3ah- cyclopentacycloocten-1(4H)-one hydrochloride; [(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; C31H53ClN2O5S; Valnemulin hydrochloride; (3aS, 4R, 5S, 6S, 8R, 9R, 9aR, 10R)-6-Ethenyl-5-hydroxy-4, 6, 9, 10-tetramethyl-1-oxodecahydro-3a, 9-propano-3aH-cyclopenta[8]annulen-8-yl [[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-1 and 1-dimethylethyl]sulfanyl]acetate hydrochloride; Valnemulin Hydrocloride; Valnemulin hydrochloride CRS; SCHEMBL1457012; Valnemulin hydrochloride 100 microg/mL in Acetonitrile
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 and 8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride
InChI
InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19-,20+,22-,24-,25+,26+,29-,30+,31+;/m1./s1
