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Substance Name: Rifamycin B cyclopentylmethylamide
RN: 17607-41-9
InChIKey: SHTDZEKKDUDXBC-COPYJFQCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H60-N2-O13

Molecular Weight

  • 836.97
 
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Names and Synonyms

Results Name

  • Rifamycin B cyclopentylmethylamide

Synonyms

  • BRN 5418592
  • N-Cyclopentyl-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-methylacetamide 21-acetate
  • NCI 173-428
  • Rifamycin B cyclopentylmethylamide

Systematic Names

  • 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-cyclopentyl-N-methyl-, 21-acetate
  • Acetamide, N-cyclopentyl-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-methyl-, 21-acetate
  • Rifamycin, 4-O-(2-(cyclopentylmethylamino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 17607-41-9

System Generated Number

  • 0017607419

Structure Descriptors

InChI

1S/C45H60N2O13/c1-22-14-13-15-23(2)44(55)46-30-20-32(57-21-33(49)47(9)29-16-11-12-17-29)34-35(40(30)53)39(52)27(6)42-36(34)43(54)45(8,60-42)58-19-18-31(56-10)24(3)41(59-28(7)48)26(5)38(51)25(4)37(22)50/h13-15,18-20,22,24-26,29,31,37-38,41,50-53H,11-12,16-17,21H2,1-10H3,(H,46,55)/b14-13+,19-18+,23-15-

InChIKey

SHTDZEKKDUDXBC-COPYJFQCSA-N

Smiles

c12cc(c3c4c(c(c(c3c2O)O)C)O[C@@](C)(C4=O)OC=C[C@@H](OC)[C@@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(N1)=O)O)OC(C)=O)OCC(N(C)C1CCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 283mg/kg (283mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.