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Catalog Number | ACM105628077 |
CAS Number | 105628-07-7 |
Structure | ![]() |
Synonyms | Eril |
IUPAC Name | 5-(1,4-Diazepan-1-ylsulfonyl)isoquinoline;hydrochloride |
Molecular Weight | 327.83 |
Molecular Formula | C14H18ClN3O2S |
Canonical SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl |
InChI | InChI=1S/C14H17N3O2S.ClH/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;/h1,3-5,7,11,15H,2,6,8-10H2;1H |
InChI Key | LFVPBERIVUNMGV-UHFFFAOYSA-N |
Purity | 98%+ |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 421 |
Exact Mass | 327.0808257 |
Heavy Atom Count | 21 |
Monoisotopic Mass | 327.0808257 |
Topological Polar Surface Area | 70.7Ų |
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