Cas no 95751-30-7 (Charybdotoxin)

Charybdotoxin structure
Charybdotoxin structure
Product Name:Charybdotoxin
CAS No:95751-30-7
MF:C176H277N57O55S7
MW:4295.88650774956
CID:809739
PubChem ID:56842037
Update Time:2025-09-27

Charybdotoxin Chemical and Physical Properties

Names and Identifiers

    • Charybdotoxin
    • Charybdotoxin, ChTX
    • Charybdotoxin (Leiurus quinquestriatus hebraeus)
    • DTXSID30897182
    • CTX Toxin
    • Charybdotoxin (reduced)
    • 95751-30-7
    • 115422-61-2
    • Quinquestriatus Toxin
    • CHARYBDOTOXIN (Native)
    • Lqh alpha IT Recombinant
    • Potassium channel toxin alpha-KTx 1.1
    • ChTX-Lq1
    • ChTX
    • ChTx-a
    • DA-51822
    • Toxin, Quinquestriatus
    • Toxin, CTX
    • DTXCID701326593
    • MDL： MFCD00146378
    • Inchi： 1S/C176H277N57O55S7/c1-81(2)58-106-149(263)213-110(62-91-67-191-80-197-91)152(266)215-112(64-127(183)246)156(270)231-135(85(8)240)170(284)219-114(69-234)157(271)200-95(36-25-54-192-174(185)186)138(252)196-68-130(249)199-96(32-17-21-50-177)139(253)222-120-75-291-295-79-124(226-159(273)116(71-236)218-167(281)132(82(3)4)228-155(269)113(65-128(184)247)216-169(283)134(84(7)239)230-154(268)108(59-88-28-13-12-14-29-88)210-145(259)102-44-47-129(248)198-102)166(280)232-137(87(10)242)172(286)233-136(86(9)241)171(285)220-115(70-235)158(272)204-98(34-19-23-52-179)141(255)206-104(45-48-131(250)251)147(261)225-122-77-292-290-74-119(223-143(257)99(35-20-24-53-180)201-140(254)97(33-18-22-51-178)203-153(267)111(63-126(182)245)214-148(262)105(49-57-289-11)208-162(120)276)161(275)205-101(38-27-56-194-176(189)190)144(258)224-121(164(278)211-107(60-89-39-41-92(243)42-40-89)150(264)221-118(73-238)173(287)288)76-293-294-78-123(163(277)207-103(43-46-125(181)244)146(260)202-100(142(256)209-106)37-26-55-193-175(187)188)227-168(282)133(83(5)6)229-160(274)117(72-237)217-151(265)109(212-165(122)279)61-90-66-195-94-31-16-15-30-93(90)94/h12-16,28-31,39-42,66-67,80-87,95-124,132-137,195,234-243H,17-27,32-38,43-65,68-79,177-180H2,1-11H3,(H2,181,244)(H2,182,245)(H2,183,246)(H2,184,247)(H,191,197)(H,196,252)(H,198,248)(H,199,249)(H,200,271)(H,201,254)(H,202,260)(H,203,267)(H,204,272)(H,205,275)(H,206,255)(H,207,277)(H,208,276)(H,209,256)(H,210,259)(H,211,278)(H,212,279)(H,213,263)(H,214,262)(H,215,266)(H,216,283)(H,217,265)(H,218,281)(H,219,284)(H,220,285)(H,221,264)(H,222,253)(H,223,257)(H,224,258)(H,225,261)(H,226,273)(H,227,282)(H,228,269)(H,229,274)(H,230,268)(H,231,270)(H,232,280)(H,233,286)(H,250,251)(H,287,288)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t84-,85-,86-,87-,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+,123+,124+,132+,133+,134+,135+,136+,137+/m1/s1
    • InChI Key： CNVQLPPZGABUCM-LIGYZCPXSA-N
    • SMILES： S1C[C@H]2C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(NCC(N[C@H](C(N[C@H]3CSSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N[C@@H](CSSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CO)=O)CC4C=CC(=CC=4)O)=O)CS1)=O)CCCNC(=N)N)=O)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CC(N)=O)NC([C@H](CCSC)NC3=O)=O)=O)=O)=O)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N2)=O)C(C)C)=O)=O)CC1=CNC2C=CC=CC1=2)=O)=O)CCC(=O)O)=O)CCCCN)=O)=O)[C@@H](C)O)=O)[C@@H](C)O)=O)NC([C@H](CO)NC([C@H](C(C)C)NC([C@H](CC(N)=O)NC([C@H]([C@@H](C)O)NC([C@H](CC1C=CC=CC=1)NC([C@@H]1CCC(N1)=O)=O)=O)=O)=O)=O)=O)=O)CCCCN)=O)=O)CCCNC(=N)N)=O)=O)[C@@H](C)O)=O)CC(N)=O)=O)CC1=CN=CN1)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O

Computed Properties

  • Exact Mass: 4293.871
  • Monoisotopic Mass: 4292.868
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 68
  • Hydrogen Bond Acceptor Count: 70
  • Heavy Atom Count: 295
  • Rotatable Bond Count: 84
  • Complexity: 10100
  • 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
  • Surface Charge: 0
  • Tautomer Count: 1000
  • XLogP3: -21
  • Topological Polar Surface Area: 2040A^2

Experimental Properties

  • Color/Form: White powder
  • Solubility: Not determined

Charybdotoxin Security Information

Charybdotoxin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
WU HAN AN JIE KAI Biomedical Technology Co., Ltd.
ajci18786-100ug
Charybdotoxin
 95751-30-7 98%
100ug
 ￥2982.00 2023-09-09
FUJIFILM
338-42271-0.1mg
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 95751-30-7
0.1mg
 JPY 22000 2023-09-15
TRC
C291853-100μg
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100μg
 $ 333.00 2023-04-18
TRC
C291853-250μg
Charybdotoxin
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250μg
 $ 666.00 2023-04-18
Biosynth
PCB-4227-S-0.1 mg
Charybdotoxin
 95751-30-7
0.1 mg
 $334.40 2023-01-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
C274900-100μg
Charybdotoxin
 95751-30-7
100μg
 ￥2,100.00 2021-05-28
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
C274900-10μg
Charybdotoxin
 95751-30-7
10μg
 ￥660.00 2021-05-28
SHENG KE LU SI SHENG WU JI SHU
sc-200979-100 μg
Charybdotoxin,
 95751-30-7 >98%
100μg
 ￥3,016.00 2023-07-10
SHENG KE LU SI SHENG WU JI SHU
sc-200979-100μg
Charybdotoxin,
 95751-30-7 >98%
100μg
 ￥3016.00 2023-09-05
TargetMol Chemicals
TP2059-5 mg
Charybdotoxin
 95751-30-7 98%
5mg
 ￥ 26,000 2023-07-11

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