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Substance Name: gamma-Amanitin, de-S-oxide
RN: 13567-11-8
InChIKey: JPQAXLYDHQQGBO-YYZHSDCXSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C39-H54-N10-O12-S

Molecular Weight

  • 886.9796
 
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Names and Synonyms

Results Name

  • gamma-Amanitin, de-S-oxide

Synonyms

  • EINECS 236-970-9
  • gamma-Amanitin, de-S-oxide

Registry Numbers

CAS Registry Number

  • 13567-11-8

System Generated Number

  • 0013567118

Structure Descriptors

InChI

1S/C39H54N10O12S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-62-38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t16-,17-,18+,20+,24-,25+,26-,27-,31-,32?/m0/s1

InChIKey

JPQAXLYDHQQGBO-YYZHSDCXSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c(SC[C@H](NC(=O)CNC1=O)C(=O)N[C@H](CC(=O)N)C(=O)N4C[C@H](O)C[C@H]4C(=O)NC([C@@H](C)[C@@H](C)O)C(=O)N2)[nH]c5cc(O)ccc35

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200ug/kg (0.2mg/kg)   Japanese Journal of Toxicology. Vol. 4, Pg. 233, 1991.
mouse LD50 unreported 150ug/kg (0.15mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2142, 1972.