181145-46-0
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 9-DIMETHYL-, O-(2-(DI METHYLAMINO)ETHYL)OXIME,10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)
Name
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 9-DIMETHYL-, O-(2-(DI METHYLAMINO)ETHYL)OXIME,10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)
Formula
C16 H21 N5 O3 S . C4 H4 O4
MolWeight
479.512
1Identification
【Name】
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 9-DIMETHYL-, O-(2-(DI METHYLAMINO)ETHYL)OXIME,10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)
【CAS】
【MDL】
MFCD01758153
【English Synonyms】
【Formula】
C16 H21 N5 O3 S . C4 H4 O4
【MolWeight】
479.512
【Inchi】
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】
InChIKey=LWSSFLKRWAEYNY-CYHTUJKUSA-N
【SMILES】
Cn1cc\2c(n1)S(=O)(=O)N(c3ccccc3/C2=N\OCCN(C)C)C.C(=C\C(=O)O)\C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 9-DIMETHYL-, O-(2-(DI METHYLAMINO)ETHYL)OXIME,10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1).cml
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