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Substance Name: Cgp 29861
RN: 122188-46-9
InChIKey: HFFXREQFJJLFHE-IYJOIJIYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H66-N4-O12

Molecular Weight

  • 891.065
 
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Names and Synonyms

Name of Substance

  • Cgp 29861

Synonyms

  • 3-((6-Ethyl-1,4-diazabicyclo(4.4.0)decyl)iminomethyl)rifamycin SV
  • 3-(1-Iminomethyl-6-ethyl-1,4-diazabicyclo(4.4.0)decyl)rifamycin SV

Systematic Names

  • CGP 29861 (9CI)
  • Rifamycin SV, 3-((6-ethyl-1,4-diazabicyclo(4.4.0)decyl)iminomethyl)-

Registry Numbers

CAS Registry Number

  • 122188-46-9

System Generated Number

  • 0122188469

Structure Descriptors

InChI

1S/C48H66N4O12/c1-11-31-15-16-32-23-52(19-18-51(32)22-31)49-21-33-38-43(58)36-35(42(33)57)37-45(29(7)41(36)56)64-48(9,46(37)59)62-20-17-34(61-10)26(4)44(63-30(8)53)28(6)40(55)27(5)39(54)24(2)13-12-14-25(3)47(60)50-38/h12-14,17,20-21,24,26-28,31-32,34,39-40,44,54-58H,11,15-16,18-19,22-23H2,1-10H3,(H,50,60)/b13-12+,20-17+,25-14-,49-21?

InChIKey

HFFXREQFJJLFHE-IYJOIJIYSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@@H](C=CC=C(C(Nc2c(c(c1c(c2O)c(O)c3C)O)\C=N/N1C[C@@H]2CC[C@@H](C[N@@]2CC1)CC)=O)C)C)C)O)C)OC(=O)C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3800mg/kg (3800mg/kg)   Drugs of the Future. Vol. 13, Pg. 845, 1988.
rat LD50 oral 3600mg/kg (3600mg/kg)   Drugs of the Future. Vol. 13, Pg. 845, 1988.