| CAS Number | 210297-47-5 |
| Catalog Number | AG01ACPZ(AGN-PC-0WOHD7) |
| Chemical Name | 5-(Piperazin-1-ylsulfonyl)isoquinoline dihydrochloride |
| IUPAC Name | 5-piperazin-1-ylsulfonylisoquinoline;dihydrochloride |
| InChI | InChI=1S/C13H15N3O2S.2ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;;/h1-5,10,14H,6-9H2;2*1H |
| InChI Key | ZKQAPKKKTQCVKG-UHFFFAOYSA-N |
| MDL Number | MFCD01310980 |
| Molecular Formula | C13H17Cl2N3O2S |
| Molecular Weight | 350.2640 |
| SMILES | Cl.Cl.N1(CCNCC1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1 |
| Synonyms | HA-100 dihydrochloride,
210297-47-5,
5-(piperazine-1-sulfonyl)isoquinoline dihydrochloride,
5-(Piperazin-1-ylsulfonyl)isoquinoline dihydrochloride,
1-(5-ISOQUINOLINESULFONYL)-PIPERAZINE,
SCHEMBL5176161,
AKOS027378470,
NE55663,
1-(5-Isoquinolinesulfonyl)piperazine, dihydrochloride,
Z2609473546,
ha-100,
HA 100 (pharmaceutical),
HA-100 (Dihydrochloride),
1-(5-Isoquinolinesulfonyl)piperazine,
C13-H15-N3-O2-S,
1-(5-Isoquinolinylsulfonyl)piperazine,
84468-24-6,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.258g/mol |
| Monoisotopic Mass | 349.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number