9-Dimethyl-2H-Pyrazolo(3,4-c)(2,1)Benzothiazepin-4(9H)-One O-(2-(Dimethylamino)Ethyl)Oxime 10,10-Dioxide (Z)-2-Butenedioate (1:1)
[CAS# 181145-46-0]

Identification

• Name: 9-Dimethyl-2H-Pyrazolo(3,4-c)(2,1)Benzothiazepin-4(9H)-One O-(2-(Dimethylamino)Ethyl)Oxime 10,10-Dioxide (Z)-2-Butenedioate (1:1)
• Molecular Formula: C₂₀H₂₅N₅O₇S
• Molecular Weight: 479.51
• CAS Registry Number: 181145-46-0
• SMILES: C1=C/2C(=N[N]1C)[S](=O)(=O)N(C3=C(C2=N/OCCN(C)C)C=CC=C3)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C16H21N5O3S.C4H4O4/c1-19(2)9-10-24-18-15-12-7-5-6-8-14(12)21(4)25(22,23)16-13(15)11-20(3)17-16;5-3(6)1-2-4(7)8/h5-8,11H,9-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b18-15+;2-1+
• InChIKey: LWSSFLKRWAEYNY-FVEGSWOLSA-N

Properties

• Boiling point: 521.4°C at 760 mmHg (Cal.)
• Flash point: 269.1°C (Cal.)