(5-CHLORO-BENZO[1,3]DIOXOL-4-YL)-[7-[2-(4-METHYL-PIPERAZIN-1-YL)-ETHOXY]-5-(TETRAHYDRO-PYRAN-4-YLOXY)-QUINAZOLIN-4-YL]-AMINE (2E)-2-BUTENEDIOATE (1:2)

CAS No.
893428-72-3
CCD No.
CCD01672993
Formula
C27 H32 Cl N5 O5 . 2 C4 H4 O4
MolWeight
774.176

Basic Information

Product Name: (5-CHLORO-BENZO[1,3]DIOXOL-4-YL)-[7-[2-(4-METHYL-PIPERAZIN-1-YL)-ETHOXY]-5-(TETRAHYDRO-PYRAN-4-YLOXY)-QUINAZOLIN-4-YL]-AMINE (2E)-2-BUTENEDIOATE (1:2)
CAS: 893428-72-3
English Synonyms: (5-CHLORO-BENZO[1,3]DIOXOL-4-YL)-[7-[2-(4-METHYL-PIPERAZIN-1-YL)-ETHOXY]-5-(TETRAHYDRO-PYRAN-4-YLOXY)-QUINAZOLIN-4-YL]-AMINE (2E)-2-BUTENEDIOATE (1:2) ; 4-QUINAZOLINAMINE, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYL-1-PIPERAZINYL)ETHOXY]-5-[(TETRAHYDRO-2H-PYRAN-4-YL)OXY]-, (2E)-2-BUTENEDIOATE (1:2) ; AZD 0530 DIFUMARATE
MDL Number.: MFCD12546336
H bond acceptor: 10
H bond donor: 1
Smile: CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
InChi: InChI=1S/C27H32ClN5O5.2C4H4O4/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22;2*5-3(6)1-2-4(7)8/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChiKey: InChIKey=OQXMMAQEMJUIQM-LVEZLNDCSA-N

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