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Substance Name: Acetic acid, phenyl-, ((1,2-dihydro-5,6,9,17,19,21-hexahydroxy-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-8-yl)methylene)hydrazide, 21-acetate
RN: 51707-06-3
InChIKey: LVFKIDKGHGTMQB-YHKMHQSRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H55-N3-O13

Molecular Weight

  • 857.9485
 
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Names and Synonyms

Synonym

  • Rifamycin, 3-(((phenylacetyl)hydrazono)methyl)-

Systematic Name

  • Acetic acid, phenyl-, ((1,2-dihydro-5,6,9,17,19,21-hexahydroxy-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-8-yl)methylene)hydrazide, 21-acetate

Registry Numbers

CAS Registry Number

  • 51707-06-3

System Generated Number

  • 0051707063

Structure Descriptors

InChI

1S/C46H55N3O13/c1-22-14-13-15-23(2)45(58)48-36-30(21-47-49-32(51)20-29-16-11-10-12-17-29)40(55)33-34(41(36)56)39(54)27(6)43-35(33)44(57)46(8,62-43)60-19-18-31(59-9)24(3)42(61-28(7)50)26(5)38(53)25(4)37(22)52/h10-19,21-22,24-26,31,37-38,42,52-56H,20H2,1-9H3,(H,48,58)(H,49,51)/b14-13+,19-18+,23-15-,47-21+

InChIKey

LVFKIDKGHGTMQB-YHKMHQSRSA-N

Smiles

Cc1c(c2c3c4c1OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/NC(=O)Cc5ccccc5)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 380mg/kg (380mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.