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Substance Name: Phalloidin, 6-(2-mercapto-1-methyl-L-tryptophan)-
RN: 35167-13-6
InChIKey: XHUXYGHEHCWWIN-UHFFFAOYSA-N

Molecular Formula

  • C36-H50-N8-O11-S

Molecular Weight

  • 802.902
 
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Names and Synonyms

Synonyms

  • N(sup ind)-Methylphalloidin
  • N-Methylphalloidin

Systematic Name

  • Phalloidin, 6-(2-mercapto-1-methyl-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 35167-13-6

System Generated Number

  • 0035167136

Structure Descriptors

InChI

1S/C36H50N8O11S/c1-16-28(48)39-22-11-21-20-8-6-7-9-25(20)43(5)35(21)56-14-24(34(54)44-13-19(47)10-26(44)32(52)38-16)41-33(53)27(18(3)46)42-29(49)17(2)37-31(51)23(40-30(22)50)12-36(4,55)15-45/h6-9,16-19,22-24,26-27,45-47,55H,10-15H2,1-5H3,(H,37,51)(H,38,52)(H,39,48)(H,40,50)(H,41,53)(H,42,49)

InChIKey

XHUXYGHEHCWWIN-UHFFFAOYSA-N

Smiles

Cn1c2c(c3ccccc13)C[C@@H]1C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](CS2)C(=O)N2[C@@H](C[C@@H](O)C2)C(N[C@@H](C(N1)=O)C)=O)=O)[C@@H](O)C)=O)C)=O)C[C@@](CO)(C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.