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Substance Name: RA V
RN: 64725-24-2
InChIKey: TUBWTFZPLDUNIL-HJJYVODLSA-N

Molecular Formulas

  • C40-H48-N6-O9
  • C40-H48-N6-O9.5/4H2-O

Molecular Weight

  • 3117.48
 
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Names and Synonyms

Name of Substance

  • RA V

Synonyms

  • 5-(N-Methyl-L-tyrosine)bouvardin hydrate (4:5)
  • Deoxybouvardin
  • NSC 259969
  • RA V
  • TPC-A

Systematic Names

  • Bouvardin, 5-(N-methyl-L-tyrosine)-
  • Bouvardin, 5-(N-methyl-L-tyrosine)-, hydrate (4:5)

Registry Numbers

CAS Registry Number

  • 64725-24-2

System Generated Number

  • 0064725242

Molecular Formulas

Molecular Formulas

  • C40-H48-N6-O9
  • C40-H48-N6-O9.5/4H2-O

Molecular Formula Fragments

  • C40-H48-N6-O9
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/4C40H48N6O9.5H2O/c4*1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53;;;;;/h4*8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50);5*1H2/t4*22-,23-,24+,30-,31+,32+;;;;;/m0000...../s1

InChIKey

TUBWTFZPLDUNIL-HJJYVODLSA-N

Smiles

c1(C[C@@H]2N(C)C([C@H](C)NC([C@H](C)NC([C@@H]3N(C)C([C@H](N(C)C([C@@H](C)NC2=O)=O)Cc2ccc(cc2)Oc2c(O)ccc(c2)C3)=O)=O)=O)=O)ccc(OC)cc1.O.O.O.O.O.c1(C[C@@H]2N(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]3Cc4cc(Oc5ccc(cc5)C[C@H](C(N3C)=O)N(C)C(=O)[C@@H](C)NC2=O)c(cc4)O)ccc(OC)cc1.c1(C[C@@H]2N(C)C([C@H](C)NC([C@H](C)NC([C@@H]3N(C([C@H](N(C([C@@H](C)NC2=O)=O)C)Cc2ccc(Oc4c(O)ccc(c4)C3)cc2)=O)C)=O)=O)=O)ccc(OC)cc1.c1(C[C@@H]2N(C)C([C@H](C)NC([C@H](C)NC([C@@H]3N(C([C@H](N(C([C@@H](C)NC2=O)=O)C)Cc2ccc(Oc4c(O)ccc(c4)C3)cc2)=O)C)=O)=O)=O)ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 32, Pg. 3216, 1984.
mouse LD50 intravenous 34mg/kg (34mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 32, Pg. 3216, 1984.