Cas no 145808-47-5 (Margatoxin (MgTX))

Margatoxin (MgTX) structure
Margatoxin (MgTX) structure
Product Name:Margatoxin (MgTX)
CAS No:145808-47-5
MF:C178H286N52O50S7
MW:4178.94887018204
CID:182303
PubChem ID:121596045
Update Time:2025-04-19

Margatoxin (MgTX) Chemical and Physical Properties

Names and Identifiers

    • Margatoxin (9CI)
    • Margatoxin
    • Cys13 and Cys34
    • Margatoxin, Centruroides margaritatus
    • Margatoxin, Recomb.
    • MgTx
    • RMGTX
    • RMARGATOXIN
    • MGTX (SCORPION)
    • MARGATOXIN (MGTX)
    • BARK SCORPION VENOM
    • MARGATOXIN (SCORPION)
    • MARGATOXIN, RECOMBINANT
    • SCORPION VENOM CENTRUROIDES SCULPTURATUS
    • C178H286N52O50S7
    • 6197NL836C
    • HB1083
    • UNII-6197NL836C
    • 145808-47-5
    • DA-75321
    • Margatoxin (MgTX)
    • MDL： MFCD00132225
    • Inchi： 1S/C178H286N52O50S7/c1-15-91(7)140(225-172(273)141(92(8)16-2)224-169(270)138(190)96(12)233)171(272)211-114(75-134(189)240)158(259)223-139(90(5)6)170(271)208-107(43-25-31-64-184)153(254)221-125-87-287-283-83-121-161(262)206-111(58-69-281-14)157(258)210-113(74-133(188)239)147(248)194-78-136(242)199-102(38-20-26-59-179)149(250)217-120-82-282-284-84-122(220-156(257)110(54-57-132(187)238)205-150(251)106(42-24-30-63-183)207-166(267)126-44-33-66-228(126)176(277)119(81-232)216-173(274)142(97(13)234)226-165(125)266)163(264)212-115(70-89(3)4)174(275)230-68-35-47-129(230)177(278)229-67-34-46-128(229)168(269)222-124(86-286-285-85-123(219-152(253)105(204-160(120)261)41-23-29-62-182)164(265)213-116(72-99-48-50-101(235)51-49-99)175(276)227-65-32-45-127(227)167(268)214-117(178(279)280)73-100-76-191-88-195-100)162(263)203-103(39-21-27-60-180)148(249)198-95(11)145(246)202-109(53-56-131(186)237)155(256)209-112(71-98-36-18-17-19-37-98)146(247)193-79-137(243)200-108(52-55-130(185)236)154(255)215-118(80-231)159(260)197-93(9)143(244)192-77-135(241)196-94(10)144(245)201-104(151(252)218-121)40-22-28-61-181/h17-19,36-37,48-51,76,88-97,102-129,138-142,231-235H,15-16,20-35,38-47,52-75,77-87,179-184,190H2,1-14H3,(H2,185,236)(H2,186,237)(H2,187,238)(H2,188,239)(H2,189,240)(H,191,195)(H,192,244)(H,193,247)(H,194,248)(H,196,241)(H,197,260)(H,198,249)(H,199,242)(H,200,243)(H,201,245)(H,202,246)(H,203,263)(H,204,261)(H,205,251)(H,206,262)(H,207,267)(H,208,271)(H,209,256)(H,210,258)(H,211,272)(H,212,264)(H,213,265)(H,214,268)(H,215,255)(H,216,274)(H,217,250)(H,218,252)(H,219,253)(H,220,257)(H,221,254)(H,222,269)(H,223,259)(H,224,270)(H,225,273)(H,226,266)(H,279,280)/t91-,92-,93-,94-,95-,96+,97+,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-,138-,139-,140-,141-,142-/m0/s1
    • InChI Key： OVJBOPBBHWOWJI-FYNXUGHNSA-N
    • SMILES： S1C[C@H]2C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](C)C(N[C@@H](CCCCN)C(N[C@@H]3C(N[C@@H](CCSC)C(N[C@@H](CC(N)=O)C(NCC(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC4C=CC(=CC=4)O)C(N4CCC[C@H]4C(N[C@H](C(=O)O)CC4=CN=CN4)=O)=O)=O)CS1)=O)=O)CSSC[C@@H](C(N[C@@H](CC(C)C)C(N1CCC[C@H]1C(N1CCC[C@H]1C(N2)=O)=O)=O)=O)NC([C@H](CCC(N)=O)NC([C@H](CCCCN)NC([C@@H]1CCCN1C([C@H](CO)NC([C@H]([C@@H](C)O)NC([C@H](CSSC3)NC([C@H](CCCCN)NC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H]([C@@H](C)CC)NC([C@H]([C@@H](C)O)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C)=O)CO)=O)CCC(N)=O)=O)=O)CC1C=CC=CC=1)=O)CCC(N)=O)=O)C)=O)CCCCN)=O

Computed Properties

  • Exact Mass: 4176.9513914g/mol
  • Monoisotopic Mass: 4175.9480365g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 53
  • Hydrogen Bond Acceptor Count: 65
  • Heavy Atom Count: 287
  • Rotatable Bond Count: 75
  • Complexity: 9830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 40
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -14.9
  • Topological Polar Surface Area: 1810?2

Margatoxin (MgTX) Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Safety Instruction： 22
  • Storage Condition：?20°C

Margatoxin (MgTX) Pricemore >>

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