| CAS Number | 1177141-67-1 |
| Catalog Number | AG003S8N(AGN-PC-00SM9F) |
| Chemical Name | N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide dihydrochloride |
| IUPAC Name | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride |
| InChI | InChI=1S/C11H12ClN3O2S.2ClH/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10;;/h1-3,5,7,15H,4,6,13H2;2*1H |
| InChI Key | JUAVTXYOCISSSL-UHFFFAOYSA-N |
| MDL Number | MFCD00897689 |
| Molecular Formula | C11H14Cl3N3O2S |
| Molecular Weight | 358.6718 |
| SMILES | O=S(C1=CC=C(Cl)C2=C1C=NC=C2)(NCCN)=O.[H]Cl.[H]Cl |
| Synonyms | 1177141-67-1,
CKI-7 dihydrochloride,
N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE DIHYDROCHLORIDE,
CKI 7 Dihydrochloride,
N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulphonamide dihydrochloride,
SCHEMBL3974953,
CTK7E9076,
MFCD00897689,
AKOS025142091,
TRA0077252,
KS-0000186A,
RT-017310,
FT-0661793,
CKI-7 dihydrochloride, >=98% (HPLC), solid,
J-003656,
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide dihydrochloride,
N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide;dihydrochloride,
|
| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.662g/mol |
| Monoisotopic Mass | 356.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
|
6.1
|
|
Hazard statements
|
H301
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number