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Substance Name: Rifamycin AF 05
RN: 38330-15-3
InChIKey: ZGOGYVJXKPGNCZ-SDDCJGPJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H58-N2-O13

Molecular Weight

  • 907.02
 
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Names and Synonyms

Results Name

  • Rifamycin AF 05

Synonyms

  • 3-Formylrifamycin SV O-(diphenylmethyl)oxime
  • AF 05
  • BRN 5419013
  • NSC 143471
  • Rifamycin AF 05

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-(diphenylmethyl)oxime
  • Rifamycin, 3-(((diphenylmethoxy)imino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38330-15-3

System Generated Number

  • 0038330153

Structure Descriptors

InChI

1S/C51H58N2O13/c1-26-17-16-18-27(2)50(61)53-40-35(25-52-66-48(33-19-12-10-13-20-33)34-21-14-11-15-22-34)44(58)37-38(45(40)59)43(57)31(6)47-39(37)49(60)51(8,65-47)63-24-23-36(62-9)28(3)46(64-32(7)54)30(5)42(56)29(4)41(26)55/h10-26,28-30,36,41-42,46,48,55-59H,1-9H3,(H,53,61)/b17-16+,24-23+,27-18-,52-25+/t26-,28+,29+,30+,36-,41-,42+,46+,51-/m0/s1

InChIKey

ZGOGYVJXKPGNCZ-SDDCJGPJSA-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(c2\C=N\OC(c1ccccc1)c1ccccc1)O)c(c3C)O)O)=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 intravenous 98mg/kg (98mg/kg)   Journal of Medicinal Chemistry. Vol. 17, Pg. 396, 1974.