IA 3 methanesulfonate
2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate
Also Known As: IA 3 methanesulfonate|IA-3|RefChem:348448|AC1L21NY|TTZGKMBLWUVGJV-UHFFFAOYSA-N|162668-EP2275422A1|162668-EP2281818A1|2H-(1)Benzothiopyrano(4,3,2-cd)indazole, 8-chloro-5-methyl-2-(2-(diethylamino)ethyl)-, monomethanesulfonate|2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate|2-(8-Chloro-5-methyl-2H-[1]benzothiopyrano[4,3,2-cd]indazol-2-yl)-N,N-diethylethan-1-aminium methanesulfonate|2H-[1]Benzothiopyrano[4,3,2-cd]indazole-2-ethanamine, 8-chloro-N,N-diethyl-5-methyl-, monomethanesulfonate
| Molecular Formula | C21H26ClN3O3S2 |
|---|---|
| Molecular Weight | 467.1104 g/mol |
| LogP | 3.22 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.1104 |
| Heavy Atoms | 30 |
| Complexity | 1163.9 |
Chemical Identifiers
| CAS Number | 43218-55-9 |
|---|---|
| SMILES | CC[NH+](CC)CCN1C2=C3C(=C(C=C2)C)SC4=C(C3=N1)C=CC(=C4)Cl.CS(=O)(=O)[O-] |
Product Overview
IA 3 methanesulfonate (CAS 43218-55-9), with molecular formula C21H26ClN3O3S2 and molecular weight 467.1104 g/mol. IUPAC: 2-(5-chloro-10-methyl-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-14-yl)ethyl-diethylazanium;methanesulfonate.
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