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Substance Name: Rifamycin di-tert-butylamide
RN: 17607-42-0
InChIKey: JQBJIECUGLNWDU-MSRMPSBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H66-N2-O13

Molecular Weight

  • 867.039
 
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Names and Synonyms

Results Name

  • Rifamycin di-tert-butylamide

Synonym

  • Rifamycin di-tert-butylamide

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,N-di-tert-butyl-, 21-acetate

Registry Numbers

CAS Registry Number

  • 17607-42-0

System Generated Number

  • 0017607420

Structure Descriptors

InChI

1S/C47H66N2O13/c1-23-17-16-18-24(2)44(57)48-30-21-32(59-22-33(51)49(45(8,9)10)46(11,12)13)34-35(40(30)55)39(54)28(6)42-36(34)43(56)47(14,62-42)60-20-19-31(58-15)25(3)41(61-29(7)50)27(5)38(53)26(4)37(23)52/h16-21,23,25-27,31,37-38,41,52-55H,22H2,1-15H3,(H,48,57)/b17-16+,20-19+,24-18-

InChIKey

JQBJIECUGLNWDU-MSRMPSBMSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 162mg/kg (162mg/kg) LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION Chemotherapia. Vol. 12, Pg. 155, 1967.