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Substance Name: Apatorsen sodium [USAN]
RN: 915443-09-3
UNII: 3N4G7RE66Y
InChIKey: DGMKQBWICZTTBN-OWXIQQMWSA-A

Classification Code

  • Antineoplastic

Molecular Formula

  • Unspecified

Molecular Weight

  • 7574.7225
 
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Names and Synonyms

Name of Substance

  • Apatorsen sodium [USAN]

Synonyms

  • Apatorsen sodium
  • ISIS 306053
  • OGX-427
  • UNII-3N4G7RE66Y

Systematic Name

  • DNA, d(P-thio)((2'-O-(2-methoxyethyl))rG-(2'-O-(2-methoxyethyl))rG-(2'-O-(2-methoxyethyl))rG-(2'-O-(2-methoxyethyl))rA-m5C-G-m5C-G-G-m5C-G-m5C-T-m5C-G-G-(2'-O-(2-methoxyethyl))m5rU-(2'-O-(2-methoxyethyl))m5rC-(2'-O-(2-methoxyethyl))rA-(2'-O-(2-methoxyethyl))m5rU), nonadecasodium salt

Registry Numbers

CAS Registry Number

  • 915443-09-3

FDA UNII

  • 3N4G7RE66Y

System Generated Number

  • 0915443093

Structure Descriptors

InChI

1S/C224H304N79O116P19S19.19Na/c1-88-46-284(216(318)257-168(88)225)129-34-97(401-420(327,439)363-60-114-102(39-134(386-114)289-52-94(7)187(306)281-222(289)324)406-421(328,440)362-56-110-98(35-130(381-110)285-47-89(2)169(226)258-217(285)319)402-422(329,441)368-63-119-107(44-139(390-119)297-81-252-147-182(297)267-211(237)276-194(147)313)411-430(337,449)372-66-121-108(45-140(392-121)298-82-253-148-183(298)268-212(238)277-195(148)314)412-431(338,450)375-69-123-154(163(357-29-21-349-13)201(396-123)292-54-96(9)189(308)283-224(292)326)414-435(342,454)377-70-124-155(162(356-28-20-348-12)200(395-124)290-51-93(6)173(230)262-221(290)323)415-436(343,455)378-72-126-157(165(359-31-23-351-15)203(398-126)300-84-247-142-175(232)243-76-245-177(142)300)417-433(340,452)374-68-122-152(305)160(354-26-18-346-10)199(394-122)291-53-95(8)188(307)282-223(291)325)111(382-129)57-364-426(333,445)407-103-40-135(293-77-248-143-178(293)263-207(233)272-190(143)309)387-116(103)61-367-423(330,442)403-99-36-131(286-48-90(3)170(227)259-218(286)320)384-113(99)59-366-428(335,447)409-105-42-137(295-79-250-145-180(295)265-209(235)274-192(145)311)391-120(105)65-371-429(336,448)410-106-43-138(296-80-251-146-181(296)266-210(236)275-193(146)312)389-118(106)62-369-424(331,443)404-100-37-132(287-49-91(4)171(228)260-219(287)321)383-112(100)58-365-427(334,446)408-104-41-136(294-78-249-144-179(294)264-208(234)273-191(144)310)388-117(104)64-370-425(332,444)405-101-38-133(288-50-92(5)172(229)261-220(288)322)385-115(101)67-373-432(339,451)416-156-125(397-202(164(156)358-30-22-350-14)299-83-246-141-174(231)242-75-244-176(141)299)71-379-437(344,456)419-159-128(400-206(167(159)361-33-25-353-17)303-87-256-151-186(303)271-215(241)280-198(151)317)74-380-438(345,457)418-158-127(399-205(166(158)360-32-24-352-16)302-86-255-150-185(302)270-214(240)279-197(150)316)73-376-434(341,453)413-153-109(55-304)393-204(161(153)355-27-19-347-11)301-85-254-149-184(301)269-213(239)278-196(149)315;;;;;;;;;;;;;;;;;;;/h46-54,75-87,97-140,152-167,199-206,304-305H,18-45,55-74H2,1-17H3,(H,327,439)(H,328,440)(H,329,441)(H,330,442)(H,331,443)(H,332,444)(H,333,445)(H,334,446)(H,335,447)(H,336,448)(H,337,449)(H,338,450)(H,339,451)(H,340,452)(H,341,453)(H,342,454)(H,343,455)(H,344,456)(H,345,457)(H2,225,257,318)(H2,226,258,319)(H2,227,259,320)(H2,228,260,321)(H2,229,261,322)(H2,230,262,323)(H2,231,242,244)(H2,232,243,245)(H,281,306,324)(H,282,307,325)(H,283,308,326)(H3,233,263,272,309)(H3,234,264,273,310)(H3,235,265,274,311)(H3,236,266,275,312)(H3,237,267,276,313)(H3,238,268,277,314)(H3,239,269,278,315)(H3,240,270,279,316)(H3,241,271,280,317);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t97?,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-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,152?,153?,154?,155?,156?,157?,158?,159?,160?,161?,162?,163?,164?,165?,166?,167?,199-,200-,201-,202-,203-,204-,205-,206-,420?,421?,422?,423?,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?;;;;;;;;;;;;;;;;;;;/m1.................../s1

InChIKey

DGMKQBWICZTTBN-OWXIQQMWSA-A

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)COP(=O)(OC3C[C@@H](O[C@@H]3COP(=O)(OC4C[C@@H](O[C@@H]4COP(=O)(OC5C[C@@H](O[C@@H]5COP(=O)(OC6C[C@@H](O[C@@H]6COP(=O)(OC7C[C@@H](O[C@@H]7COP(=O)(OC8C[C@@H](O[C@@H]8COP(=O)(OC9C[C@@H](O[C@@H]9COP(=O)(OC1C[C@@H](O[C@@H]1COP(=O)(OC1[C@H](O[C@H](C1OCCOC)n1cnc2c1ncnc2N)COP(=O)(OC1[C@H](O[C@H](C1OCCOC)n1cnc2c1nc([nH]c2=O)N)COP(=O)(OC1[C@H](O[C@H](C1OCCOC)n1cnc2c1nc([nH]c2=O)N)COP(=O)(OC1[C@H](O[C@H](C1OCCOC)n1cnc2c1nc([nH]c2=O)N)CO)[S-])[S-])[S-])[S-])n1cc(c(nc1=O)N)C)[S-])n1cnc2c1nc([nH]c2=O)N)[S-])n1cc(c(nc1=O)N)C)[S-])n1cnc2c1nc([nH]c2=O)N)[S-])n1cnc2c1nc([nH]c2=O)N)[S-])n1cc(c(nc1=O)N)C)[S-])n1cnc2c1nc([nH]c2=O)N)[S-])n1cc(c(nc1=O)N)C)[S-])OP(=O)(OC[C@@H]1C(C[C@@H](O1)n1cc(c(nc1=O)N)C)OP(=O)(OC[C@@H]1C(C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1C(C[C@@H](O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(OC[C@@H]1C(C([C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OCCOC)OP(=O)(OC[C@@H]1C(C([C@@H](O1)n1cc(c(nc1=O)N)C)OCCOC)OP(=O)(OC[C@@H]1C(C([C@@H](O1)n1cnc2c1nc[nH]c2=N)OCCOC)OP(=O)(OC[C@@H]1C(C([C@@H](O1)n1cc(c(=O)[nH]c1=O)C)OCCOC)O)[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+]