Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Neurotoxin M(sub 10) (Buthus eupeus reduced)
RN: 74350-62-2
InChIKey: WITHOPONTMIFBC-APVAKBPKSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C322-H475-N87-O97-S8

Molecular Weight

  • 7373.3345
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Neurotoxin M(sub 10) (Buthus eupeus reduced)

Registry Numbers

CAS Registry Number

  • 74350-62-2

System Generated Number

  • 0074350622

Structure Descriptors

InChI

1S/C322H475N87O97S8/c1-19-160(11)261(406-303(488)206(119-170-72-84-179(413)85-73-170)363-247(428)144-349-271(456)217(130-252(436)437)387-281(466)199(67-47-113-342-322(339)340)374-314(499)258(336)157(5)6)316(501)358-167(18)267(452)378-218(131-253(438)439)300(485)389-219(132-254(440)441)298(483)369-195(62-34-42-108-327)280(465)388-221(134-256(444)445)302(487)401-228(149-508)305(490)357-165(16)266(451)376-208(121-172-76-88-181(415)89-77-172)293(478)381-210(117-168-50-22-21-23-51-168)295(480)397-227(148-507)274(459)352-143-246(427)361-193(66-46-112-341-321(337)338)275(460)386-216(128-240(334)421)291(476)356-164(15)265(450)377-209(122-173-78-90-182(416)91-79-173)294(479)402-233(154-513)310(495)390-220(133-255(442)443)299(484)373-203(97-102-250(432)433)285(470)372-204(98-103-251(434)435)287(472)400-230(151-510)306(491)370-194(61-33-41-107-326)278(463)366-190(58-30-38-104-323)269(454)347-139-242(423)353-163(14)264(449)365-202(96-101-249(430)431)286(471)394-225(146-410)272(457)350-141-244(425)359-191(59-31-39-105-324)276(461)398-231(152-511)309(494)384-212(124-175-136-343-187-55-27-24-52-184(175)187)296(481)380-207(120-171-74-86-180(414)87-75-171)289(474)354-162(13)263(448)346-140-243(424)362-200(94-99-237(331)418)283(468)379-205(118-169-70-82-178(412)83-71-169)270(455)348-145-248(429)364-215(127-239(333)420)290(475)355-166(17)268(453)396-229(150-509)307(492)385-213(125-176-137-344-188-56-28-25-53-185(176)188)297(482)403-232(153-512)308(493)382-211(123-174-80-92-183(417)93-81-174)292(477)368-196(63-35-43-109-328)282(467)392-223(116-156(3)4)318(503)408-114-48-68-235(408)312(497)391-222(135-257(446)447)301(486)383-214(126-177-138-345-189-57-29-26-54-186(177)189)304(489)405-260(159(9)10)319(504)409-115-49-69-236(409)313(498)407-262(161(12)20-2)317(502)375-197(64-36-44-110-329)279(464)371-201(95-100-238(332)419)284(469)367-198(65-37-45-111-330)288(473)404-259(158(7)8)315(500)395-226(147-411)273(458)351-142-245(426)360-192(60-32-40-106-325)277(462)399-234(155-514)311(496)393-224(320(505)506)129-241(335)422/h21-29,50-57,70-93,136-138,156-167,190-236,258-262,343-345,410-417,507-514H,19-20,30-49,58-69,94-135,139-155,323-330,336H2,1-18H3,(H2,331,418)(H2,332,419)(H2,333,420)(H2,334,421)(H2,335,422)(H,346,448)(H,347,454)(H,348,455)(H,349,456)(H,350,457)(H,351,458)(H,352,459)(H,353,423)(H,354,474)(H,355,475)(H,356,476)(H,357,490)(H,358,501)(H,359,425)(H,360,426)(H,361,427)(H,362,424)(H,363,428)(H,364,429)(H,365,449)(H,366,463)(H,367,469)(H,368,477)(H,369,483)(H,370,491)(H,371,464)(H,372,470)(H,373,484)(H,374,499)(H,375,502)(H,376,451)(H,377,450)(H,378,452)(H,379,468)(H,380,481)(H,381,478)(H,382,493)(H,383,486)(H,384,494)(H,385,492)(H,386,460)(H,387,466)(H,388,465)(H,389,485)(H,390,495)(H,391,497)(H,392,467)(H,393,496)(H,394,471)(H,395,500)(H,396,453)(H,397,480)(H,398,461)(H,399,462)(H,400,472)(H,401,487)(H,402,479)(H,403,482)(H,404,473)(H,405,489)(H,406,488)(H,407,498)(H,430,431)(H,432,433)(H,434,435)(H,436,437)(H,438,439)(H,440,441)(H,442,443)(H,444,445)(H,446,447)(H,505,506)(H4,337,338,341)(H4,339,340,342)/t160-,161-,162-,163-,164-,165-,166-,167-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,258-,259-,260-,261-,262-/m0/s1

InChIKey

WITHOPONTMIFBC-APVAKBPKSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc8ccc(O)cc8)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc9c[nH]c%10ccccc9%10)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc%11ccc(O)cc%11)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N%12CCC[C@H]%12C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc%13c[nH]c%14ccccc%13%14)C(=O)N[C@@H](C(C)C)C(=O)N%15CCC[C@H]%15C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 720ug/kg (0.72mg/kg)   Soviet Journal of Bioorganic Chemistry Vol. 6, Pg. 390, 1980.