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Substance Name: Dmb-rifampicin
RN: 13292-47-2
InChIKey: VBPKXILIWJWJAB-DEWHWMQSSA-N

Note

  • Inhibitor of nucleic acid polymerases.

Classification Code

  • Mutation Data

Molecular Formula

  • C51-H66-N4-O12

Molecular Weight

  • 927.098
 
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Names and Synonyms

Name of Substance

  • Dmb-rifampicin

Synonyms

  • 2,6-Dimethyl benzyl 4-demethyl rifampin
  • 2,6-Dimethyl-4-benzyl-4-demethyl-rifampicin
  • 2,6-Dimethyl-4-N-benzyldemethylrifampicin
  • 3-(4-Benzyl-2,6-dimethylpiperazinoiminomethyl)rifamycin SV
  • AF Flash ABDP
  • AF/Abdp
  • Dimethylbenzyldemethylrifampicin
  • Dimethylbenzyldesmethylrifampicin
  • NSC 139209
  • NSC 143414
  • Rifampicin AF/abdp
  • Rifamycin, 3-(((2,6-dimethyl-4-(phenylmethyl)-1-piperazinyl)imino)methyl)- 9(CI)

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 8-(N-(4-benzyl-2,6-dimethyl-1-piperazinyl)formimidoyl)-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
  • Rifamycin, 3-(((2,6-dimethyl-4-(phenylmethyl)-1-piperazinyl)imino)methyl)-(9CI)

Registry Numbers

CAS Registry Number

  • 13292-47-2

System Generated Number

  • 0013292472

Structure Descriptors

InChI

1S/C51H66N4O12/c1-26-16-15-17-27(2)50(63)53-41-36(22-52-55-28(3)23-54(24-29(55)4)25-35-18-13-12-14-19-35)45(60)38-39(46(41)61)44(59)33(8)48-40(38)49(62)51(10,67-48)65-21-20-37(64-11)30(5)47(66-34(9)56)32(7)43(58)31(6)42(26)57/h12-22,26,28-32,37,42-43,47,57-61H,23-25H2,1-11H3,(H,53,63)/b16-15+,21-20+,27-17-,52-22+/t26-,28?,29?,30+,31+,32+,37-,42-,43+,47+,51-/m0/s1

InChIKey

VBPKXILIWJWJAB-DEWHWMQSSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](C)[C@H]([C@H](C=CC=C(C(Nc2c(c(c1c(c2\C=N\N1[C@@H](CN(C[C@@H]1C)Cc1ccccc1)C)O)c(c3C)O)O)=O)C)C)O)O)C)OC(=O)C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4gm/kg (4000mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.