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Substance Name: Phalloidin, 7-(5-((1,4-dioxo-4-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)amino)butyl)amino)-4-hydroxy-L-leucine)-
RN: 87876-31-1
InChIKey: CDKRLLOAOHGYMV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H57-F3-N12-O12-S

Molecular Weight

  • 1071.0993
 
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Names and Synonyms

Synonym

  • BRN 5231461

Systematic Name

  • Phalloidin, 7-(5-((1,4-dioxo-4-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)amino)butyl)amino)-4-hydroxy-L-leucine)-

Registry Numbers

CAS Registry Number

  • 87876-31-1

System Generated Number

  • 0087876311

Structure Descriptors

InChI

1S/C47H57F3N12O12S/c1-21-37(67)55-30-16-28-27-7-5-6-8-29(27)58-43(28)75-19-32(44(73)62-18-26(64)15-33(62)41(71)53-21)57-42(72)36(23(3)63)59-38(68)22(2)52-40(70)31(56-39(30)69)17-45(4,74)20-51-34(65)13-14-35(66)54-25-11-9-24(10-12-25)46(60-61-46)47(48,49)50/h5-12,21-23,26,30-33,36,58,63-64,74H,13-20H2,1-4H3,(H,51,65)(H,52,70)(H,53,71)(H,54,66)(H,55,67)(H,56,69)(H,57,72)(H,59,68)

InChIKey

CDKRLLOAOHGYMV-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)CCC(=O)Nc6ccc(cc6)C7(N=N7)C(F)(F)F)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.