2,9-Dimethyl-2H-Pyrazolo(3,4-c)(2,1)Benzothiazepin-4(9H)-One O-(2-(4-Morpholinyl)Ethyl)Oxime 10,10-Dioxide (Z)-2-Butenedioate (1:1)
[CAS# 181145-52-8]

Identification

• Name: 2,9-Dimethyl-2H-Pyrazolo(3,4-c)(2,1)Benzothiazepin-4(9H)-One O-(2-(4-Morpholinyl)Ethyl)Oxime 10,10-Dioxide (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₂₂H₂₇N₅O₈S
• Molecular Weight: 521.54
• CAS Registry Number: 181145-52-8
• SMILES: C1=C/2C(=N[N]1C)[S](=O)(=O)N(C4=C(C2=N/OCCN3CCOCC3)C=CC=C4)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C18H23N5O4S.C4H4O4/c1-21-13-15-17(20-27-12-9-23-7-10-26-11-8-23)14-5-3-4-6-16(14)22(2)28(24,25)18(15)19-21;5-3(6)1-2-4(7)8/h3-6,13H,7-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b20-17+;2-1+
• InChIKey: TYHXTVNIVMCRIX-ZUTPTFRTSA-N

Properties

• Boiling point: 591.5°C at 760 mmHg (Cal.)
• Flash point: 311.5°C (Cal.)