08388

4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

analytical standard

• Synonym(s): 1-(2,3-Dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone, JTV-519, K201
• Empirical Formula (Hill Notation): C₂₅H₃₂N₂O₂S
• CAS Number: 145903-06-6
• Molecular Weight: 424.60
• Beilstein/REAXYS Number: 10598851
• MDL number: MFCD00935784
• UNSPSC Code: 41116107
• PubChem Substance ID: 329748577
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• storage temp.: −20°C
• SMILES string: O=C(N1CCSC2=CC=C(OC)C=C2C1)CCN3CCC(CC4=CC=CC=C4)CC3
• InChI: 1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3
• InChI key: KCWGETCFOVJEPI-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H413
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 4
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable