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Substance Name: Rifamycin B ethylmethylamide
RN: 17607-34-0
InChIKey: MQKJESAEXVBCTC-SMAJNJDBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H56-N2-O13

Molecular Weight

  • 796.905
 
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Names and Synonyms

Results Name

  • Rifamycin B ethylmethylamide

Synonyms

  • BRN 5418276
  • Rifamycin B ethylmethylamide

Systematic Name

  • Acetamide, 2-((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)-N-ethyl-N-methyl-, 21-acetate

Registry Numbers

CAS Registry Number

  • 17607-34-0

System Generated Number

  • 0017607340

Structure Descriptors

InChI

1S/C42H56N2O13/c1-12-44(10)30(46)19-54-29-18-27-37(50)32-31(29)33-39(25(7)36(32)49)57-42(9,40(33)51)55-17-16-28(53-11)22(4)38(56-26(8)45)24(6)35(48)23(5)34(47)20(2)14-13-15-21(3)41(52)43-27/h13-18,20,22-24,28,34-35,38,47-50H,12,19H2,1-11H3,(H,43,52)/b14-13+,17-16+,21-15-

InChIKey

MQKJESAEXVBCTC-SMAJNJDBSA-N

Smiles

c12cc(OCC(N(C)CC)=O)c3c4c(c(c(O)c3c2O)C)O[C@@](C)(C4=O)OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 720mg/kg (720mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.