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Substance Name: Rifamycin II, 3'-acetyl-1',2'-dimethyl-
RN: 21240-38-0
InChIKey: MVODEXRQKZLCBL-OIURLYNQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H54-N2-O12

Molecular Weight

  • 790.902
 
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Names and Synonyms

Results Name

  • Rifamycin II, 3'-acetyl-1',2'-dimethyl-

Synonyms

  • BRN 5402462
  • NCI 143-462
  • PR 14
  • Rifamycin II, 3'-acetyl-1',2'-dimethyl-
  • Rifamycin PR 14

Systematic Name

  • 9,4-(Epoxypentadeca(1,11,13)trienimino)-1H-benzofuro(5,4-g)indole-10,26(9H)-dione, 3-acetyl-5,6,16,18,20-pentahydroxy-14-methoxy-1,2,7,9,15,17,19,21,25-nonamethyl-, 16-acetate

Registry Numbers

CAS Registry Number

  • 21240-38-0

System Generated Number

  • 0021240380

Structure Descriptors

InChI

1S/C43H54N2O12/c1-18-14-13-15-19(2)42(53)44-33-30-28(25(8)46)24(7)45(11)34(30)29-31(38(33)51)37(50)23(6)40-32(29)41(52)43(10,57-40)55-17-16-27(54-12)20(3)39(56-26(9)47)22(5)36(49)21(4)35(18)48/h13-18,20-22,27,35-36,39,48-51H,1-12H3,(H,44,53)/b14-13+,17-16+,19-15-/t18-,20+,21+,22+,27-,35-,36+,39+,43-/m0/s1

InChIKey

MVODEXRQKZLCBL-OIURLYNQSA-N

Smiles

c1(c2c(c3c4c5O[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(Nc2c(c3c(c5C)O)O)=O)C)C)O)C)O)C)C)OC)C)n(c1C)C)C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.