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Substance Name: Cobitolimod [INN]
RN: 1226822-98-5
UNII: 328101264R
InChIKey: IXYNFLOLUBKHQU-FZCWJHTDSA-N

Molecular Formula

  • C185-H233-N73-O106-P18-S6

Molecular Weight

  • 5925.2087
 
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Names and Synonyms

Name of Substance

  • Cobitolimod [INN]

Synonyms

  • Cobitolimod
  • Cobitolimod [WHO-DD]
  • DIMS 0150
  • DNA, d(g-SP-g-SP-a-SP-a-c-a-g-t-t-c-g-t-c-c-a-t-SP-g-SP-g-SP-C)
  • IDX 0150
  • Kappaproct
  • UNII-328101264R

Registry Numbers

CAS Registry Number

  • 1226822-98-5

FDA UNII

  • 328101264R

Other Registry Numbers

  • 1164117-60-5
  • 918833-87-1
  • 918835-48-0
  • 935482-26-1

System Generated Number

  • 1226822985

Structure Descriptors

InChI

1S/C185H233N73O106P18S6/c1-71-34-245(182(276)236-161(71)261)123-21-81(100(334-123)44-314-371(292,293)353-83-23-125(247-36-73(3)163(263)238-184(247)278)336-102(83)46-316-373(296,297)357-87-28-133(255-67-215-143-157(255)226-173(197)232-167(143)267)341-106(87)50-320-374(298,299)354-84-24-127(249-61-209-137-147(191)201-57-205-151(137)249)338-103(84)47-317-366(282,283)349-80-20-122(244-14-9-117(190)223-181(244)275)333-99(80)43-313-375(300,301)358-88-26-129(251-63-211-139-149(193)203-59-207-153(139)251)342-108(88)52-323-379(306,385)362-90-30-130(252-64-212-140-150(194)204-60-208-154(140)252)343-109(90)53-325-381(308,387)363-92-32-135(257-69-217-145-159(257)228-175(199)234-169(145)269)344-110(92)54-324-378(305,384)359-76-16-131(328-94(76)38-259)253-65-213-141-155(253)224-171(195)230-165(141)265)351-369(288,289)312-42-98-79(19-121(332-98)243-13-8-116(189)222-180(243)274)350-368(286,287)319-49-105-86(27-132(340-105)254-66-214-142-156(254)225-172(196)231-166(142)266)356-372(294,295)315-45-101-82(22-124(335-101)246-35-72(2)162(262)237-183(246)277)352-370(290,291)311-41-97-77(17-119(331-97)241-11-6-114(187)220-178(241)272)347-365(280,281)310-40-96-78(18-120(330-96)242-12-7-115(188)221-179(242)273)348-367(284,285)318-48-104-85(25-128(339-104)250-62-210-138-148(192)202-58-206-152(138)250)355-376(302,303)321-51-107-89(29-126(337-107)248-37-74(4)164(264)239-185(248)279)360-380(307,386)326-56-112-93(33-136(346-112)258-70-218-146-160(258)229-176(200)235-170(146)270)364-382(309,388)327-55-111-91(31-134(345-111)256-68-216-144-158(256)227-174(198)233-168(144)268)361-377(304,383)322-39-95-75(260)15-118(329-95)240-10-5-113(186)219-177(240)271/h5-14,34-37,57-70,75-112,118-136,259-260H,15-33,38-56H2,1-4H3,(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,383)(H,305,384)(H,306,385)(H,307,386)(H,308,387)(H,309,388)(H2,186,219,271)(H2,187,220,272)(H2,188,221,273)(H2,189,222,274)(H2,190,223,275)(H2,191,201,205)(H2,192,202,206)(H2,193,203,207)(H2,194,204,208)(H,236,261,276)(H,237,262,277)(H,238,263,278)(H,239,264,279)(H3,195,224,230,265)(H3,196,225,231,266)(H3,197,226,232,267)(H3,198,227,233,268)(H3,199,228,234,269)(H3,200,229,235,270)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,377?,378?,379?,380?,381?,382?/m0/s1

InChIKey

IXYNFLOLUBKHQU-FZCWJHTDSA-N

Smiles

CC1=CN([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@H](C[C@@H]3OP(=O)(O)OC[C@H]4O[C@H](C[C@@H]4OP(=O)(O)OC[C@H]5O[C@H](C[C@@H]5OP(=O)(O)OC[C@H]6O[C@H](C[C@@H]6OP(=O)(O)OC[C@H]7O[C@H](C[C@@H]7OP(=O)(O)OC[C@H]8O[C@H](C[C@@H]8OP(=O)(O)OC[C@H]9O[C@H](C[C@@H]9OP(=S)(O)OC[C@H]%10O[C@H](C[C@@H]%10OP(=S)(O)OC[C@H]%11O[C@H](C[C@@H]%11OP(=S)(O)OC[C@H]%12O[C@H](C[C@@H]%12O)N%13C=CC(=NC%13=O)N)n%14cnc%15C(=O)NC(=Nc%14%15)N)n%16cnc%17C(=O)NC(=Nc%16%17)N)N%18C=C(C)C(=O)NC%18=O)n%19cnc%20c(N)ncnc%19%20)N%21C=CC(=NC%21=O)N)N%22C=CC(=NC%22=O)N)N%23C=C(C)C(=O)NC%23=O)n%24cnc%25C(=O)NC(=Nc%24%25)N)N%26C=CC(=NC%26=O)N)[C@@H](COP(=O)(O)O[C@H]%27C[C@@H](O[C@@H]%27COP(=O)(O)O[C@H]%28C[C@@H](O[C@@H]%28COP(=O)(O)O[C@H]%29C[C@@H](O[C@@H]%29COP(=O)(O)O[C@H]%30C[C@@H](O[C@@H]%30COP(=O)(O)O[C@H]%31C[C@@H](O[C@@H]%31COP(=S)(O)O[C@H]%32C[C@@H](O[C@@H]%32COP(=S)(O)O[C@H]%33C[C@@H](O[C@@H]%33COP(=S)(O)O[C@H]%34C[C@@H](O[C@@H]%34CO)n%35cnc%36C(=O)NC(=Nc%35%36)N)n%37cnc%38C(=O)NC(=Nc%37%38)N)n%39cnc%40c(N)ncnc%39%40)n%41cnc%42c(N)ncnc%41%42)N%43C=CC(=NC%43=O)N)n%44cnc%45c(N)ncnc%44%45)n%46cnc%47C(=O)NC(=Nc%46%47)N)N%48C=C(C)C(=O)NC%48=O)O2)C(=O)NC1=O