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Substance Name: Pegsunercept [USAN:INN]
RN: 330988-75-5
UNII: Q5I7SFZ853
InChIKey: FRTWBBPJTHGOOW-FHRLQTPTSA-N

Classification Codes

  • Anti-Tumor Necrosis Factor (TNF) Agents
  • Pegylated Proteins
  • Treatment of Inflammatory and Autoimmune Conditions (E.G. Rheumatoid Arthritis, Crohn's Disease) (Binds and Thereby Inhibits the Inflammatory Activity of Tumor Necrosis Factor)

Molecular Formulas

  • C502-H758-N154-O165-S16
  • Unspecified

Molecular Weight

  • 12103.4792
 
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Names and Synonyms

Name of Substance

  • Pegsunercept [USAN:INN]

Synonyms

  • 1-105-Tumor necrosis factor receptor p55 (methionyl) (human), 30-kilodalton pegylated
  • PEG-sTNF-RI
  • Pegsunercept
  • Pegylated (30 kilodaltons) L-methionyl-1-105-tumor necrosis factor receptor p55 (human). Molecular weight is approximately 42,000 daltons
  • Pegylated Soluble Tumor Necrosis Factor Receptor Type I
  • sTNF-RI
  • UNII-Q5I7SFZ853

Registry Numbers

CAS Registry Number

  • 330988-75-5

FDA UNII

  • Q5I7SFZ853

System Generated Number

  • 0330988755

Structure Descriptors

InChI

1S/C502H758N154O165S16/c1-32-237(20)389-484(808)616-323(173-260-192-539-228-558-260)493(817)655-152-66-90-351(655)479(803)584-286(117-129-358(515)683)419(743)605-314(177-362(519)687)445(769)609-316(179-364(521)689)447(771)622-334(209-666)464(788)647-391(239(22)34-3)486(810)637-344(219-834-837-223-348(639-483(807)386(234(14)15)642-463(787)333(208-665)623-449(773)317(181-379(710)711)587-399(723)267(509)136-154-822-30)495(819)656-153-67-91-352(656)478(802)583-281(112-124-353(510)678)401(725)547-193-366(691)560-270(77-47-53-139-504)405(729)593-305(452(776)646-389)167-254-100-110-265(677)111-101-254)473(797)635-346-221-835-836-222-347-494(818)654-151-65-89-350(654)477(801)553-199-372(697)653-150-64-88-349(653)476(800)552-197-368(693)561-282(113-125-354(511)679)416(740)611-322(186-384(720)721)454(778)649-395(244(27)670)490(814)615-320(184-382(716)717)450(774)632-339(214-829-830-216-341(628-415(739)274(81-51-57-143-508)585-489(813)394(243(26)669)651-475(346)799)471(795)603-307(169-256-188-535-224-554-256)438(762)565-269(76-46-52-138-503)400(724)549-198-371(696)640-392(241(24)667)488(812)613-303(166-253-98-108-264(676)109-99-253)435(759)588-295(157-230(6)7)428(752)595-302(165-252-96-106-263(675)107-97-252)434(758)608-315(178-363(520)688)446(770)612-318(182-380(712)713)451(775)638-347)467(791)574-277(84-60-146-542-499(527)528)409(733)576-291(122-134-377(706)707)424(748)629-338-213-828-831-217-342(631-441(765)310(172-259-191-538-227-557-259)601-411(735)278(85-61-147-543-500(529)530)568-427(751)294(156-229(4)5)589-439(763)309(171-258-190-537-226-556-258)602-444(768)313(176-361(518)686)607-420(744)288(119-131-374(700)701)579-457(781)327(202-659)618-398(722)240(23)559-487(811)393(242(25)668)648-453(777)304(162-249-72-42-37-43-73-249)597-456(780)326(201-658)563-369(694)195-550-403(727)325(200-657)619-422(746)290(581-468(338)792)121-133-376(704)705)469(793)591-297(159-232(10)11)430(754)620-330(205-662)461(785)633-343-218-832-833-220-345-474(798)652-397(246(29)672)492(816)643-387(235(16)17)481(805)614-319(183-381(714)715)448(772)570-280(87-63-149-545-502(533)534)413(737)610-321(185-383(718)719)455(779)650-396(245(28)671)491(815)644-388(236(18)19)482(806)636-335(210-824-826-212-337(627-414(738)273(80-50-56-142-507)571-458(782)329(204-661)625-472(343)796)466(790)573-276(83-59-145-541-498(525)526)408(732)566-271(78-48-54-140-505)406(730)575-287(118-130-373(698)699)417(741)582-293(137-155-823-31)402(726)548-194-367(692)562-283(114-126-355(512)680)425(749)641-385(233(12)13)480(804)586-292(123-135-378(708)709)426(750)645-390(238(21)33-2)485(809)626-332(207-664)460(784)624-331(206-663)462(786)634-345)404(728)551-196-370(695)564-336-211-825-827-215-340(470(794)598-299(161-248-70-40-36-41-71-248)436(760)617-324(496(820)821)180-365(522)690)630-423(747)285(116-128-357(514)682)577-432(756)298(160-247-68-38-35-39-69-247)594-429(753)296(158-231(8)9)590-443(767)312(175-360(517)685)606-421(745)289(120-132-375(702)703)580-459(783)328(203-660)621-437(761)306(168-255-187-546-268-75-45-44-74-266(255)268)599-433(757)301(164-251-94-104-262(674)105-95-251)596-440(764)308(170-257-189-536-225-555-257)600-412(736)279(86-62-148-544-501(531)532)569-431(755)300(163-250-92-102-261(673)103-93-250)592-418(742)284(115-127-356(513)681)578-442(766)311(174-359(516)684)604-410(734)272(79-49-55-141-506)567-407(731)275(572-465(336)789)82-58-144-540-497(523)524/h35-45,68-75,92-111,187-192,224-246,267,269-352,385-397,546,657-677H,32-34,46-67,76-91,112-186,193-223,503-509H2,1-31H3,(H2,510,678)(H2,511,679)(H2,512,680)(H2,513,681)(H2,514,682)(H2,515,683)(H2,516,684)(H2,517,685)(H2,518,686)(H2,519,687)(H2,520,688)(H2,521,689)(H2,522,690)(H,535,554)(H,536,555)(H,537,556)(H,538,557)(H,539,558)(H,547,725)(H,548,726)(H,549,724)(H,550,727)(H,551,728)(H,552,800)(H,553,801)(H,559,811)(H,560,691)(H,561,693)(H,562,692)(H,563,694)(H,564,695)(H,565,762)(H,566,732)(H,567,731)(H,568,751)(H,569,755)(H,570,772)(H,571,782)(H,572,789)(H,573,790)(H,574,791)(H,575,730)(H,576,733)(H,577,756)(H,578,766)(H,579,781)(H,580,783)(H,581,792)(H,582,741)(H,583,802)(H,584,803)(H,585,813)(H,586,804)(H,587,723)(H,588,759)(H,589,763)(H,590,767)(H,591,793)(H,592,742)(H,593,729)(H,594,753)(H,595,752)(H,596,764)(H,597,780)(H,598,794)(H,599,757)(H,600,736)(H,601,735)(H,602,768)(H,603,795)(H,604,734)(H,605,743)(H,606,745)(H,607,744)(H,608,758)(H,609,769)(H,610,737)(H,611,740)(H,612,770)(H,613,812)(H,614,805)(H,615,814)(H,616,808)(H,617,760)(H,618,722)(H,619,746)(H,620,754)(H,621,761)(H,622,771)(H,623,773)(H,624,784)(H,625,796)(H,626,809)(H,627,738)(H,628,739)(H,629,748)(H,630,747)(H,631,765)(H,632,774)(H,633,785)(H,634,786)(H,635,797)(H,636,806)(H,637,810)(H,638,775)(H,639,807)(H,640,696)(H,641,749)(H,642,787)(H,643,816)(H,644,815)(H,645,750)(H,646,776)(H,647,788)(H,648,777)(H,649,778)(H,650,779)(H,651,799)(H,652,798)(H,698,699)(H,700,701)(H,702,703)(H,704,705)(H,706,707)(H,708,709)(H,710,711)(H,712,713)(H,714,715)(H,716,717)(H,718,719)(H,720,721)(H,820,821)(H4,523,524,540)(H4,525,526,541)(H4,527,528,542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InChIKey

FRTWBBPJTHGOOW-FHRLQTPTSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(C)C)CC(=O)O)CCCNC(=N)N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CCCCN)CC(=O)N)CCC(=O)N)Cc4ccc(cc4)O)CCCNC(=N)N)Cc5cnc[nH]5)Cc6ccc(cc6)O)Cc7c[nH]c8c7cccc8)CO)CCC(=O)O)CC(=O)N)CC(C)C)Cc9ccccc9)CCC(=O)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)O)C(C)C)CCC(=O)N)CCSC)CCC(=O)O)CCCCN)CCCNC(=N)N)CCCCN)CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc1cnc[nH]1)CCCNC(=N)N)CC(C)C)Cc1cnc[nH]1)CC(=O)N)CCC(=O)O)CO)C)[C@@H](C)O)Cc1ccccc1)CO)CO)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)[C@@H](C)O)NC(=O)[C@@H]2CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)[C@@H](C)CC)CO)CC(=O)N)CC(=O)N)CCC(=O)N)Cc2cnc[nH]2)[C@@H](C)CC)Cc2ccc(cc2)O)CCCCN)CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)[C@@H](C)O)CC(=O)O)CCC(=O)N)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CC(C)C)Cc1ccc(cc1)O)[C@@H](C)O)CCCCN)Cc1cnc[nH]1)CO)CO