1,3-Diethyl ester 2-[3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl] Propanedioic acid

CAS: 101469-35-6

Ref. TR-D456100

Product Information

• Name: 1,3-Diethyl ester 2-[3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl] Propanedioic acid
• Synonyms: Propanedioic acid, 2-[3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl]-, 1,3-diethyl ester, Propanedioic acid, [3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl]-, diethyl ester (9CI), Propanedioic acid, [3-[hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl]-, diethyl ester, [3aS-(3aα,4β,6aα)]-, 1H-Thieno[3,4-d]imidazole, propanedioic acid deriv.
• Brand: TRC
• Description: Applications 1,3-Diethyl ester 2-[3-[(3aS,4S,6aR)-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]propyl] Propanedioic acid is an impurity of Biotin (B389040) which is a growth factor present in minute amounts in every living cell.References du Vigneaud, et al.: J. Biol. Chem., 146, 475 (1942), Traub, et al.: Nature, 178, 649 (1956), Siegel, H., et al.: Experienta, 37, 789 (1981), Vesely, D.L., Science, 216, 1329 (1982), Hugues, M., et al.: Biochemistry, 31, 12 (1992),

Chemical properties

• Molecular weight: 524.672
• Formula: C₂₉H₃₆N₂O₅S
• Color/Form: Neat
• InChI: InChI=1S/C29H36N2O5S/c1-3-35-27(32)23(28(33)36-4-2)16-11-17-25-26-24(20-37-25)30(18-21-12-7-5-8-13-21)29(34)31(26)19-22-14-9-6-10-15-22/h5-10,12-15,23-26H,3-4,11,16-20H2,1-2H3/t24-,25-,26-/m0/s1
• InChI key: InChIKey=QEJGMTGQYXSJNR-GSDHBNRESA-N
• SMILES: CCOC(=O)C(CCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1)C(=O)OCC