Imetelstat sodium

More details:

• Systematic name

  tridecasodium;N-[2-[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-[[[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]amino]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphinothioyl]oxy-2-hydroxy-ethyl]heptadecanamide

• SMILES

  CCCCCCCCCCCCCCCCC(=O)NCC(O)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)C)NP(=S)([O-])OC[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)NP(=S)([O-])OC[C@@H]6[C@H](C[C@@H](O6)n7cnc8c7nc([nH]c8=O)N)NP(=S)([O-])OC[C@@H]9[C@H](C[C@@H](O9)n1cnc2c1nc([nH]c2=O)N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)NP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

• Std. InChi

  InChI=1S/C148H211N68O53P13S13.13Na/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-96(217)160-35-110(218)269-282(242,295)255-51-94-73(26-101(260-94)207-38-68(4)136(221)191-148(207)229)195-274(234,287)249-45-88-77(30-105(263-88)212-61-175-115-124(155)165-56-170-129(115)212)199-277(237,290)252-48-91-80(33-108(266-91)215-64-178-118-132(215)183-143(158)187-139(118)224)202-280(240,293)254-50-93-81(34-109(268-93)216-65-179-119-133(216)184-144(159)188-140(119)225)203-281(241,294)253-49-92-78(31-106(267-92)213-62-176-116-130(213)181-141(156)185-137(116)222)200-278(238,291)246-42-85-71(24-99(259-85)205-36-66(2)134(219)189-146(205)227)193-272(232,285)245-41-84-72(25-100(258-84)206-37-67(3)135(220)190-147(206)228)194-273(233,286)248-44-87-76(29-104(262-87)211-60-174-114-123(154)164-55-169-128(114)211)198-276(236,289)251-47-90-79(32-107(265-90)214-63-177-117-131(214)182-142(157)186-138(117)223)201-279(239,292)250-46-89-75(28-103(264-89)210-59-173-113-122(153)163-54-168-127(113)210)197-275(235,288)244-40-83-70(23-98(257-83)204-21-20-95(150)180-145(204)226)192-271(231,284)247-43-86-74(27-102(261-86)209-58-172-112-121(152)162-53-167-126(112)209)196-270(230,283)243-39-82-69(149)22-97(256-82)208-57-171-111-120(151)161-52-166-125(111)208;;;;;;;;;;;;;/h20-21,36-38,52-65,69-94,97-110,218H,5-19,22-35,39-51,149H2,1-4H3,(H,160,217)(H,242,295)(H2,150,180,226)(H2,151,161,166)(H2,152,162,167)(H2,153,163,168)(H2,154,164,169)(H2,155,165,170)(H,189,219,227)(H,190,220,228)(H,191,221,229)(H2,192,231,284)(H2,193,232,285)(H2,194,233,286)(H2,195,234,287)(H2,196,230,283)(H2,197,235,288)(H2,198,236,289)(H2,199,237,290)(H2,200,238,291)(H2,201,239,292)(H2,202,240,293)(H2,203,241,294)(H3,156,181,185,222)(H3,157,182,186,223)(H3,158,183,187,224)(H3,159,184,188,225);;;;;;;;;;;;;/q;13*+1/p-13/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110?,270?,271?,272?,273?,274?,275?,276?,277?,278?,279?,280?,281?,282?;;;;;;;;;;;;;/m0............./s1

• Std. InChIKey

  BGAHYTRRKZUYGS-VQGRMMNJSA-A

• Cite this record

  CSID:34983286, http://www.chemspider.com/Chemical-Structure.34983286.html (accessed 21:13, Jun 29, 2024)