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Substance Name: Phalloidin, 6-(2-mercapto-1-propyl-L-tryptophan)-
RN: 35167-15-8
InChIKey: LHCDMVIFIRLGBK-UHFFFAOYSA-N

Molecular Formula

  • C38-H54-N8-O11-S

Molecular Weight

  • 830.956
 
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Names and Synonyms

Synonyms

  • 6-(2-Mercapto-1-propyl-L-tryptophan)phalloidin
  • N-Propylphalloidin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 35167-15-8

System Generated Number

  • 0035167158

Structure Descriptors

InChI

1S/C38H54N8O11S/c1-6-11-45-27-10-8-7-9-22(27)23-13-24-32(52)42-25(14-38(5,57)17-47)33(53)39-19(3)31(51)44-29(20(4)48)35(55)43-26(16-58-37(23)45)36(56)46-15-21(49)12-28(46)34(54)40-18(2)30(50)41-24/h7-10,18-21,24-26,28-29,47-49,57H,6,11-17H2,1-5H3,(H,39,53)(H,40,54)(H,41,50)(H,42,52)(H,43,55)(H,44,51)

InChIKey

LHCDMVIFIRLGBK-UHFFFAOYSA-N

Smiles

C(n1c2c(c3ccccc13)C[C@@H]1C(N[C@@H](C(N[C@@H](C(N[C@@H](C(=O)N[C@@H](CS2)C(=O)N2[C@@H](C[C@@H](O)C2)C(N[C@@H](C)C(N1)=O)=O)[C@@H](O)C)=O)C)=O)C[C@@](CO)(C)O)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 20mg/kg (20mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.