181145-48-2
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)

Formula

C18 H23 N5 O3 S . C4 H4 O4

MolWeight

505.549

CCD No.

CCD00252015

CAS

181145-48-2

MDL

MFCD01758156

1Identification

【Name】

2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)

【CAS】

181145-48-2

【MDL】

MFCD01758156

【English Synonyms】

2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)

【Formula】

C18 H23 N5 O3 S . C4 H4 O4

【MolWeight】

505.549

【Inchi】

InChI=1S/C18H23N5O3S.C4H4O4/c1-21-13-15-17(20-26-12-11-23-9-5-6-10-23)14-7-3-4-8-16(14)22(2)27(24,25)18(15)19-21;5-3(6)1-2-4(7)8/h3-4,7-8,13H,5-6,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b20-17+;2-1-

【InChIKey】

InChIKey=FYTCPZPMCRSHDA-HSBNLIEZSA-N

【SMILES】

Cn1cc\2c(n1)S(=O)(=O)N(c3ccccc3/C2=N\OCCN4CCCC4)C.C(=C\C(=O)O)\C(=O)O

【MOL File】

2H-PYRAZOLO(3,4-C)(2….mol

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, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1).cml

Quick Release

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181145-48-2 2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

181145-48-2
2H-PYRAZOLO(3,4-C)(2,1)BENZOTHIAZEPIN-4(9H)-ONE, 2,9-DIMETHYL-, O-(2-(1-PYRROLIDINYL)ETHYL)OXIME, 10,10-DIOXIDE, (Z)-2-BUTENEDIOATE (1:1)