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Substance Name: Aprinocarsen sodium
RN: 331257-53-5
UNII: 1U68ZWZ6OX
InChIKey: JZMHCANOTJFLQJ-IEQBYLOXSA-A

Classification Code

  • Treatment of Non-Small Cell Lung Cancer (Antisense Oligonucleotide; Protein Kinase C-alpha Inhibitor)

Molecular Formula

  • Unspecified

Molecular Weight

  • 6852.914
 
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Names and Synonyms

Results Name

  • Aprinocarsen sodium

Name of Substance

  • Aprinocarsen sodium [USAN]

Synonyms

  • Affinitac
  • Affinitak
  • Aprinocarsen sodium
  • ISIS 5321
  • UNII-1U68ZWZ6OX

Systematic Name

  • DNA, d(P-thio)(G-T-T-C-T-C-G-C-T-G-G-T-G-A-G-T-T-T-C-A), nonadecasodium salt

Registry Numbers

CAS Registry Number

  • 331257-53-5

FDA UNII

  • 1U68ZWZ6OX

System Generated Number

  • 0331257535

Structure Descriptors

InChI

1S/C196H249N68O105P19S19.19Na/c1-75-37-249(189(285)237-165(75)267)132-23-89(109(337-132)51-313-371(294,390)351-84-18-141(331-103(84)45-265)259-69-215-149-159(259)225-179(203)231-173(149)275)359-378(301,397)320-54-112-92(26-135(340-112)252-40-78(4)168(270)240-192(252)288)358-377(300,396)315-48-106-86(20-129(334-106)246-14-10-124(198)222-186(246)282)353-372(295,391)318-52-110-90(24-133(338-110)250-38-76(2)166(268)238-190(250)286)356-376(299,395)316-49-107-88(22-131(335-107)248-16-12-126(200)224-188(248)284)355-374(297,393)326-60-118-98(32-142(346-118)260-70-216-150-160(260)226-180(204)232-174(150)276)365-383(306,402)317-50-108-87(21-130(336-108)247-15-11-125(199)223-187(247)283)354-373(296,392)319-53-111-95(29-138(339-111)255-43-81(7)171(273)243-195(255)291)362-381(304,400)328-62-120-102(36-146(348-120)264-74-220-154-164(264)230-184(208)236-178(154)280)369-388(311,407)330-64-122-100(34-144(350-122)262-72-218-152-162(262)228-182(206)234-176(152)278)367-385(308,404)324-58-116-96(30-139(344-116)256-44-82(8)172(274)244-196(256)292)363-382(305,401)327-61-119-101(35-145(347-119)263-73-219-153-163(263)229-183(207)235-177(153)279)368-387(310,406)325-59-117-97(31-140(345-117)258-68-214-148-156(202)210-66-212-158(148)258)364-386(309,405)329-63-121-99(33-143(349-121)261-71-217-151-161(261)227-181(205)233-175(151)277)366-384(307,403)323-57-115-94(28-137(343-115)254-42-80(6)170(272)242-194(254)290)361-380(303,399)322-56-114-93(27-136(342-114)253-41-79(5)169(271)241-193(253)289)360-379(302,398)321-55-113-91(25-134(341-113)251-39-77(3)167(269)239-191(251)287)357-375(298,394)314-47-105-85(19-128(333-105)245-13-9-123(197)221-185(245)281)352-370(293,389)312-46-104-83(266)17-127(332-104)257-67-213-147-155(201)209-65-211-157(147)257;;;;;;;;;;;;;;;;;;;/h9-16,37-44,65-74,83-122,127-146,265-266H,17-36,45-64H2,1-8H3,(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H2,197,221,281)(H2,198,222,282)(H2,199,223,283)(H2,200,224,284)(H2,201,209,211)(H2,202,210,212)(H,237,267,285)(H,238,268,286)(H,239,269,287)(H,240,270,288)(H,241,271,289)(H,242,272,290)(H,243,273,291)(H,244,274,292)(H3,203,225,231,275)(H3,204,226,232,276)(H3,205,227,233,277)(H3,206,228,234,278)(H3,207,229,235,279)(H3,208,230,236,280);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t83-,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+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,370?,371?,372?,373?,374?,375?,376?,377?,378?,379?,380?,381?,382?,383?,384?,385?,386?,387?,388?;;;;;;;;;;;;;;;;;;;/m0.................../s1

InChIKey

JZMHCANOTJFLQJ-IEQBYLOXSA-A

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O[C@H]3C[C@@H](O[C@@H]3CO)n4cnc5c4nc([nH]c5=O)N)[S-])OP(=O)(OC[C@@H]6[C@H](C[C@@H](O6)n7cc(c(=O)[nH]c7=O)C)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)n9ccc(nc9=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1ccc(nc1=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1ncnc2N)O)[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-])[S-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]