Products 891862-87-6

CAS 891862-87-6 is the registry number for MLN-3897 citrate. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

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

(4S)-4-(4-chlorophenyl)-1-[(3E)-3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]-3,3-dimethylpiperidin-4-ol;2-hydroxypropane-1,2,3-tricarboxylic acid (CAS 891862-87-6) is a chemical compound with the molecular formula C38H45ClN2O10 and a molecular weight of 725.2 g/mol. IUPAC name: (4S)-4-(4-chlorophenyl)-1-[(3E)-3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]-3,3-dimethylpiperidin-4-ol;2-hydroxypropane-1,2,3-tricarboxylic acid. InChIKey: NIEVJXSHSCNCLW-VHAXWJLBSA-N.

Identity
Molecular formulaC38H45ClN2O10
Molecular weight725.2 g/mol
IUPAC name(4S)-4-(4-chlorophenyl)-1-[(3E)-3-[9-(2-hydroxypropan-2-yl)-5H-[1]benzoxepino[3,4-b]pyridin-11-ylidene]propyl]-3,3-dimethylpiperidin-4-ol;2-hydroxypropane-1,2,3-tricarboxylic acid
InChIKeyNIEVJXSHSCNCLW-VHAXWJLBSA-N
SMILESCC1(CN(CC[C@@]1(C2=CC=C(C=C2)Cl)O)CC/C=C/3\C4=C(COC5=C3C=C(C=C5)C(C)(C)O)N=CC=C4)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Computed by PubChem (NCBI)