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Substance Name: Phalloidin, 7-(4-hydroxy-5-((6-methoxy-1,6-dioxohexyl)amino)-L-leucine)
RN: 87876-28-6
InChIKey: OELWKQZSEMPZHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H59-N9-O13-S

Molecular Weight

  • 930.0441
 
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Names and Synonyms

Synonyms

  • BRN 5229117
  • N(sup delta)-(5-(Methoxycarbonyl)pentanoyl)-delta-aminophalloin
  • N(sup delta)-(5-(Methoxycarbonyl)pentanoyl)-delta-aminophalloin [German]

Systematic Name

  • Phalloidin, 7-(4-hydroxy-5-((6-methoxy-1,6-dioxohexyl)amino)-L-leucine)

Registry Numbers

CAS Registry Number

  • 87876-28-6

System Generated Number

  • 0087876286

Structure Descriptors

InChI

1S/C42H59N9O13S/c1-20-34(56)46-27-15-25-24-10-6-7-11-26(24)49-40(25)65-18-29(41(62)51-17-23(53)14-30(51)38(60)45-20)48-39(61)33(22(3)52)50-35(57)21(2)44-37(59)28(47-36(27)58)16-42(4,63)19-43-31(54)12-8-9-13-32(55)64-5/h6-7,10-11,20-23,27-30,33,49,52-53,63H,8-9,12-19H2,1-5H3,(H,43,54)(H,44,59)(H,45,60)(H,46,56)(H,47,58)(H,48,61)(H,50,57)

InChIKey

OELWKQZSEMPZHD-UHFFFAOYSA-N

Smiles

CC1C(=O)NC2Cc3c4ccccc4[nH]c3SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CNC(=O)CCCCC(=O)OC)O)C)C(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 5mg/kg (5mg/kg)   Liebigs Annalen der Chemie. Vol. (9), Pg. 1533, 1983.