| CAS Number | 1103926-82-4 |
| Catalog Number | AG0097G8 |
| Chemical Name | TM 5275 |
| 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 |
| MDL Number | MFCD28396414 |
| Molecular Formula | C28H27ClN3NaO5 |
| Molecular Weight | 543.9738 |
| SMILES | O=C(N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)COCC(NC4=C(C=C(C=C4)Cl)C(O[Na])=O)=O |
| Synonyms | 1103926-82-4,
TM 5275,
TM5275 sodium,
TM5275 sodium salt,
TM5275 (sodium),
sodium 2-(2-(2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy)acetamido)-5-chlorobenzoate,
TM 5275 sodium salt,
SCHEMBL1799855,
EX-A2546,
AKOS032949732,
CS-6891,
TM5275 sodium salt, >=98% (HPLC),
HY-100447,
AK00799788,
5-Chloro-2-[[2-[2-[4-(Diphenylmethyl)-1-piperazinyl]-2-oxoethoxy]acetyl]amino]benzoic acid sodium salt,
JSHSGBIWNPQCQZ-UHFFFAOYSA-M,
TM5275,
1103928-13-7,
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| Complexity | 752 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 543.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 543.98g/mol |
| Monoisotopic Mass | 543.154g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number