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Substance Name: Cgp 7040
RN: 122188-44-7
InChIKey: ILHGDLYAJLWSGO-YAAICTFBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H67-N3-O12

Molecular Weight

  • 914.099
 
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Names and Synonyms

Name of Substance

  • Cgp 7040

Synonyms

  • 3-(((2,4,6-Trimethylphenyl)methyl)piperazinyl)rifamycin SV
  • 3-(2,4,6-Trimethylbenzylpiperazinyl)rifamycin SV

Systematic Names

  • CGP 7040 (9CI)
  • Rifamycin SV, 3-(((2,4,6-trimethylphenyl)methyl)piperazinyl)-

Registry Numbers

CAS Registry Number

  • 122188-44-7

System Generated Number

  • 0122188447

Structure Descriptors

InChI

1S/C51H67N3O12/c1-25-22-28(4)35(29(5)23-25)24-53-17-19-54(20-18-53)41-40-45(59)38-37(46(41)60)39-48(33(9)44(38)58)66-51(11,49(39)61)64-21-16-36(63-12)30(6)47(65-34(10)55)32(8)43(57)31(7)42(56)26(2)14-13-15-27(3)50(62)52-40/h13-16,21-23,26,30-32,36,42-43,47,56-60H,17-20,24H2,1-12H3,(H,52,62)/b14-13+,21-16+,27-15-/t26-,30+,31+,32-,36-,42-,43-,47+,51-/m0/s1

InChIKey

ILHGDLYAJLWSGO-YAAICTFBSA-N

Smiles

c12c(c(c3c4c(O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@@H](OC(=O)C)[C@H]([C@H]([C@@H]([C@H]([C@H](C=CC=C(C(N1)=O)C)C)O)C)O)C)C)OC)C)c(c(c3c2O)O)C)O)N1CCN(Cc2c(cc(cc2C)C)C)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 13, Pg. 845, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs of the Future. Vol. 13, Pg. 845, 1988.