| SpectraBase Spectrum ID |
BdiWOgV9zfa |
| Name |
HA-1077 |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
Free base of 10010559 |
| Lot Number |
Free base of 0425957-28 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
203911-27-7 |
| Classification |
potent inhibitor of Rho-associated Kinase II |
| Copyright |
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17N3O2S |
| InChI |
InChI=1S/C14H17N3O2S/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 |
| InChIKey |
NGOGFTYYXHNFQH-UHFFFAOYSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
N1CCCN(CC1)S(c1c2ccncc2ccc1)(=O)=O |
| Sample Preparation Procedure |
The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR. |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine |
| Technique |
ATR-Film (MeCl2) (DuraSamplIR II) |
