Anivamersen

Structural Information

Molecular Formula

C₁₅₇H₂₀₈N₅₆O₁₀₃P₁₄

SMILES

COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3C(OC(C3OC)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OC6C(OC(C6OC)N7C=CC(=NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=CC(=NC9=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)CO)O

InChI

InChI=1S/C157H208N56O103P14/c1-259-102-87(218)58(289-131(102)199-24-16-72(158)183-150(199)223)33-274-317(231,232)310-95-65(296-139(110(95)267-9)207-50-176-80-117(163)170-47-173-120(80)207)40-282-321(239,240)305-90-60(291-134(105(90)262-4)202-27-19-75(161)186-153(202)226)34-276-319(235,236)304-89-59(290-133(104(89)261-3)201-26-18-74(160)185-152(201)225)35-277-320(237,238)307-92-63(294-136(107(92)264-6)204-29-21-77(215)188-155(204)228)38-280-327(251,252)314-99-70(301-143(114(99)271-13)211-54-180-84-124(211)192-147(167)196-128(84)220)45-286-329(255,256)312-97-67(298-141(112(97)269-11)209-52-178-82-119(165)172-49-175-122(82)209)42-284-323(243,244)308-93-62(293-137(108(93)265-7)205-30-22-78(216)189-156(205)229)37-279-325(247,248)311-96-66(297-140(111(96)268-10)208-51-177-81-118(164)171-48-174-121(81)208)41-283-322(241,242)309-94-64(295-138(109(94)266-8)206-31-23-79(217)190-157(206)230)39-281-328(253,254)315-100-71(302-144(115(100)272-14)212-55-181-85-125(212)193-148(168)197-129(85)221)46-287-330(257,258)316-101-69(300-145(116(101)273-15)213-56-182-86-126(213)194-149(169)198-130(86)222)44-285-324(245,246)306-91-61(292-135(106(91)263-5)203-28-20-76(162)187-154(203)227)36-278-326(249,250)313-98-68(299-142(113(98)270-12)210-53-179-83-123(210)191-146(166)195-127(83)219)43-275-318(233,234)303-88-57(32-214)288-132(103(88)260-2)200-25-17-73(159)184-151(200)224/h16-31,47-71,87-116,131-145,214,218H,32-46H2,1-15H3,(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H2,158,183,223)(H2,159,184,224)(H2,160,185,225)(H2,161,186,226)(H2,162,187,227)(H2,163,170,173)(H2,164,171,174)(H2,165,172,175)(H,188,215,228)(H,189,216,229)(H,190,217,230)(H3,166,191,195,219)(H3,167,192,196,220)(H3,168,193,197,221)(H3,169,194,198,222)

InChIKey

DJMVASRJWAOIAN-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 71306404