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Substance Name: Cgp 27557
RN: 122188-45-8
InChIKey: BHYRGODCLWGHQG-QVHRLLMXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H62-N4-O12

Molecular Weight

  • 863.012
 
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Names and Synonyms

Name of Substance

  • Cgp 27557

Synonym

  • 3-(1-Iminomethyl-1,4-diazabicyclo(4.4.0)decyl)rifamycin SV

Systematic Names

  • CGP 27557 (9CI)
  • Rifamycin SV, 3-((1,4-diazabicyclo(4.4.0)decyl)iminomethyl)-

Registry Numbers

CAS Registry Number

  • 122188-45-8

System Generated Number

  • 0122188458

Structure Descriptors

InChI

1S/C46H62N4O12/c1-23-13-12-14-24(2)45(58)48-36-31(21-47-50-19-18-49-17-11-10-15-30(49)22-50)40(55)33-34(41(36)56)39(54)28(6)43-35(33)44(57)46(8,62-43)60-20-16-32(59-9)25(3)42(61-29(7)51)27(5)38(53)26(4)37(23)52/h12-14,16,20-21,23,25-27,30,32,37-38,42,52-56H,10-11,15,17-19,22H2,1-9H3,(H,48,58)/b13-12+,20-16+,24-14-,47-21?/t23-,25+,26+,27+,30?,32-,37-,38+,42+,46-/m0/s1

InChIKey

BHYRGODCLWGHQG-QVHRLLMXSA-N

Smiles

c1(c(c2c3c4c(c(c2c(O)c1NC(=O)C(C)=CC=C[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](C=CO[C@](C)(O4)C3=O)OC)C)OC(C)=O)C)O)C)O)C)O)C)O)\C=N/N1C[C@@H]2CCCC[N@@]2CC1

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.