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Substance Name: Miravirsen sodium salt
RN: 1021428-46-5
UNII: 9ER39U6GCI
InChIKey: CXWPTNOTDDVZHE-RNFDLKLBSA-A

Note

  • A locked nucleic acid (LNA)modified phosphorothioate oligonucleotide.

Molecular Weight

  • 5274.8259
 
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Names and Synonyms

Results Name

  • Miravirsen sodium salt

Name of Substance

  • SPC3649

Synonyms

  • Miravirsen sodium salt
  • SPC 3649
  • UNII-9ER39U6GCI

Systematic Name

  • RNA, (P-thio)((2'-O,4'-C-methylene)m5C-dC-(2'-O,4'-C-methylene)A-dT-dT-(2'-O,4'-C-methylene)G-(2'-O,4'-C-methylene)m5U-dC-dA-(2'-O,4'-C-methylene)m5C-dA-(2'-O,4'-C-methylene)m5C-dT-(2'-O,4'-C-methylene)m5C-(2'-O,4'-C-methylene)m5C), sodium salt (1:14)

Registry Numbers

CAS Registry Number

  • 1021428-46-5

FDA UNII

  • 9ER39U6GCI

System Generated Number

  • 1021428465

Structure Descriptors

InChI

1S/C156H195N49O83P14S14.14Na/c1-60-21-196(140(215)180-112(60)159)129-96-104(207)150(268-129,39-238-96)46-253-301(236,315)287-109-101-133(200-25-64(5)116(163)184-144(200)219)271-153(109,42-243-101)49-256-297(232,311)279-73-18-89(195-28-67(8)126(210)189-147(195)222)264-80(73)35-251-293(228,307)283-106-98-131(198-23-62(3)114(161)182-142(198)217)269-151(106,40-240-98)48-255-300(235,314)281-75-20-91(203-57-175-93-118(165)169-54-172-121(93)203)266-82(75)36-252-294(229,308)284-107-99-132(199-24-63(4)115(162)183-143(199)218)270-152(107,41-241-99)47-254-299(234,313)280-74-19-90(202-56-174-92-117(164)168-53-171-120(92)202)265-81(74)31-247-289(224,303)275-69-14-85(191-12-10-83(157)178-138(191)213)260-76(69)32-249-292(227,306)285-108-100-134(201-29-68(9)127(211)190-148(201)223)272-154(108,43-242-100)52-259-302(237,316)288-111-103-136(205-59-177-95-123(205)185-137(167)186-128(95)212)274-156(111,45-245-103)51-258-298(233,312)278-72-17-88(194-27-66(7)125(209)188-146(194)221)262-78(72)30-246-290(225,304)276-71-16-87(193-26-65(6)124(208)187-145(193)220)263-79(71)34-250-295(230,309)286-110-102-135(204-58-176-94-119(166)170-55-173-122(94)204)273-155(110,44-244-102)50-257-296(231,310)277-70-15-86(192-13-11-84(158)179-139(192)214)261-77(70)33-248-291(226,305)282-105-97-130(267-149(105,37-206)38-239-97)197-22-61(2)113(160)181-141(197)216;;;;;;;;;;;;;;/h10-13,21-29,53-59,69-82,85-91,96-111,129-136,206-207H,14-20,30-52H2,1-9H3,(H,224,303)(H,225,304)(H,226,305)(H,227,306)(H,228,307)(H,229,308)(H,230,309)(H,231,310)(H,232,311)(H,233,312)(H,234,313)(H,235,314)(H,236,315)(H,237,316)(H2,157,178,213)(H2,158,179,214)(H2,159,180,215)(H2,160,181,216)(H2,161,182,217)(H2,162,183,218)(H2,163,184,219)(H2,164,168,171)(H2,165,169,172)(H2,166,170,173)(H,187,208,220)(H,188,209,221)(H,189,210,222)(H,190,211,223)(H3,167,185,186,212);;;;;;;;;;;;;;/q;14*+1/p-14/t69-,70-,71-,72-,73-,74-,75-,76+,77+,78+,79+,80+,81+,82+,85+,86+,87+,88+,89+,90+,91+,96+,97+,98+,99+,100+,101+,102+,103+,104-,105-,106-,107-,108-,109-,110-,111-,129+,130+,131+,132+,133+,134+,135+,136+,149+,150-,151-,152-,153-,154-,155-,156-,289?,290?,291?,292?,293?,294?,295?,296?,297?,298?,299?,300?,301?,302?;;;;;;;;;;;;;;/m0............../s1

InChIKey

CXWPTNOTDDVZHE-RNFDLKLBSA-A

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC1=CN([C@H]2C[C@H](OP(=O)([S-])OC[C@H]3O[C@H](C[C@@H]3OP(=O)([S-])OC[C@@]45CO[C@H]([C@@H]4OP(=O)([S-])OC[C@]67CO[C@@H]([C@@H](O6)N8C=C(C)C(=O)NC8=O)[C@@H]7OP(=O)([S-])OC[C@H]9O[C@H](C[C@@H]9OP(=O)([S-])OC[C@H]%10O[C@H](C[C@@H]%10OP(=O)([S-])OC[C@]%11%12CO[C@@H]([C@@H](O%11)N%13C=C(C)C(=NC%13=O)N)[C@@H]%12OP(=O)([S-])OC[C@H]%14O[C@H](C[C@@H]%14OP(=O)([S-])OC[C@]%15%16CO[C@@H]([C@@H](O%15)N%17C=C(C)C(=NC%17=O)N)[C@@H]%16OP(=O)([S-])OC[C@H]%18O[C@H](C[C@@H]%18OP(=O)([S-])OC[C@]%19%20CO[C@@H]([C@@H](O%19)N%21C=C(C)C(=NC%21=O)N)[C@@H]%20OP(=O)([S-])OC[C@@]%22%23CO[C@H]([C@@H]%22O)[C@@H](O%23)N%24C=C(C)C(=NC%24=O)N)N%25C=C(C)C(=O)NC%25=O)n%26cnc%27c(N)ncnc%26%27)n%28cnc%29c(N)ncnc%28%29)N%30C=CC(=NC%30=O)N)[C@@H](O5)n%31cnc%32C(=O)NC(=Nc%31%32)N)N%33C=C(C)C(=O)NC%33=O)[C@@H](COP(=O)([S-])O[C@H]%34[C@H]%35OC[C@@]%34(COP(=O)([S-])O[C@H]%36C[C@@H](O[C@@H]%36COP(=O)([S-])O[C@H]%37[C@H]%38OC[C@@]%37(CO)O[C@H]%38N%39C=C(C)C(=NC%39=O)N)N%40C=CC(=NC%40=O)N)O[C@H]%35n%41cnc%42c(N)ncnc%41%42)O2)C(=O)NC1=O