VW2Q4Z2GQU
1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-((3,5-bis(((chloroacetyl)amino)methyl)-2,4,6-trimethylphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid|1-Amino-4-(3,5-bis(((2-chloroacetyl)amino)methyl)-2,4,6-trimethylanilino)-9,10-dioxoanthracene-2-sulfonic acid|1-amino-4-[(3,5-bis{[(chloroacetyl)amino]methyl}-2,4,6-trimethylphenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|1-AMINO-4-((3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID|1-AMINO-4-((3,5-BIS(((CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID|1-AMINO-4-({3,5-BIS[(2-CHLOROACETAMIDO)METHYL]-2,4,6-TRIMETHYLPHENYL}AMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONIC ACID|1-amino-4-[[3,5-bis[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid|1-Amino-4-[3,5-bis[(chloroacetyl)aminomethyl]-2,4,6-trimethylphenylamino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid|1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid|1-Amino-4-{3,5-bis[(2-chloroacetamido)methyl]-2,4,6-trimethylanilino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid|2-ANTHRACENESULFONIC ACID, 1-AMINO-4-((3,5-BIS(((2-CHLOROACETYL)AMINO)METHYL)-2,4,6-TRIMETHYLPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-
| Molecular Formula | C29H28Cl2N4O7S |
|---|---|
| Molecular Weight | 646.1056 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.1056 |
| Monoisotopic Mass | 646.1056 |
| Heavy Atoms | 43 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 94159-06-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CNC(=O)CCl)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)CNC(=O)CCl |
| InChIKey | JCMYEBPPMIUWCN-UHFFFAOYSA-N |
Product Overview
VW2Q4Z2GQU (CAS 94159-06-5), with molecular formula C29H28Cl2N4O7S and molecular weight 646.1056 g/mol. IUPAC: 1-amino-4-[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid.