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Substance Name: Norphalloin
RN: 20750-72-5
InChIKey: NDQXMVZCRXSXIM-UHFFFAOYSA-N

Note

  • Analog of phalloidin.

Molecular Formula

  • C34-H46-N8-O9-S

Molecular Weight

  • 742.85
 
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Names and Synonyms

Name of Substance

  • Norphalloin

Synonyms

  • BRN 3027998
  • Norphalloin
  • Norphalloine

Systematic Name

  • cyclic(L-Alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-alanyl-2-mercapto-L-tryptophyl-L-norvalyl) cyclic (3-6)-sulfide

Registry Numbers

CAS Registry Number

  • 20750-72-5

System Generated Number

  • 0020750725

Structure Descriptors

InChI

1S/C34H46N8O9S/c1-5-8-22-29(47)35-16(3)28(46)41-26(17(4)43)32(50)39-24-14-52-33-20(19-9-6-7-10-21(19)40-33)12-23(30(48)37-22)38-27(45)15(2)36-31(49)25-11-18(44)13-42(25)34(24)51/h6-7,9-10,15-18,22-26,40,43-44H,5,8,11-14H2,1-4H3,(H,35,47)(H,36,49)(H,37,48)(H,38,45)(H,39,50)(H,41,46)

InChIKey

NDQXMVZCRXSXIM-UHFFFAOYSA-N

Smiles

c1cc2c(cc1)c1C[C@@H]3NC([C@@H](NC([C@@H]4N(C(=O)[C@@H](CSc1[nH]2)NC([C@@H](NC([C@@H](NC([C@@H](NC3=O)CCC)=O)C)=O)[C@@H](C)O)=O)C[C@@H](C4)O)=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2mg/kg (2mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.