5-[[7-[3-[ETHYL[2-(PHOSPHONOOXY)ETHYL]AMINO]PROPOXY]-4-QUINAZOLINYL]AMINO]-N-(3-FLUOROPHENYL)-1H-PYRAZOLE-3-ACETAMIDE (2Z)-2-BUTENEDIOATE (1:1)

CAS No.
957104-91-5
CCD No.
CCD03028118
Formula
C26 H31 F N7 O6 P . C4 H4 O4
MolWeight
703.617

Basic Information

Product Name: 5-[[7-[3-[ETHYL[2-(PHOSPHONOOXY)ETHYL]AMINO]PROPOXY]-4-QUINAZOLINYL]AMINO]-N-(3-FLUOROPHENYL)-1H-PYRAZOLE-3-ACETAMIDE (2Z)-2-BUTENEDIOATE (1:1)
CAS: 957104-91-5
English Synonyms: 5-[[7-[3-[ETHYL[2-(PHOSPHONOOXY)ETHYL]AMINO]PROPOXY]-4-QUINAZOLINYL]AMINO]-N-(3-FLUOROPHENYL)-1H-PYRAZOLE-3-ACETAMIDE (2Z)-2-BUTENEDIOATE (1:1)
MDL Number.: MFCD16621133
H bond acceptor: 13
H bond donor: 5
Smile: CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O.C(=C\C(=O)O)\C(=O)O
InChi: InChI=1S/C26H31FN7O6P.C4H4O4/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19;5-3(6)1-2-4(7)8/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChiKey: InChIKey=REBDKUBWKZOVKH-BTJKTKAUSA-N

* If the product has intellectual property rights, a license granted is must or contact us.