Catalog Number:
AG0097G8
Chemical Name:
TM 5275
CAS Number:
1103926-82-4
Molecular Formula:
C28H28ClN3NaO5+
Molecular Weight:
544.9818
MDL Number:
MFCD28396414
IUPAC Name:
sodium;2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
InChI:
InChI=1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1
InChI Key:
JSHSGBIWNPQCQZ-UHFFFAOYSA-M
SMILES:
O=C(Nc1ccc(cc1C(=O)O)Cl)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1.[Na+]
