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Substance Name: Benzoic acid, p-bromo-, ((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: 51707-12-1
InChIKey: BUWMICSLGILFCU-XVNGQITHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H52-Br-N3-O13

Molecular Weight

  • 922.8178
 
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Names and Synonyms

  • Benzoic acid, p-bromo-, ((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

  • 51707-12-1

System Generated Number

  • 0051707121

Structure Descriptors

InChI

1S/C45H52BrN3O13/c1-20-11-10-12-21(2)43(57)48-34-29(19-47-49-44(58)27-13-15-28(46)16-14-27)38(54)31-32(39(34)55)37(53)25(6)41-33(31)42(56)45(8,62-41)60-18-17-30(59-9)22(3)40(61-26(7)50)24(5)36(52)23(4)35(20)51/h10-20,22-24,30,35-36,40,51-55H,1-9H3,(H,48,57)(H,49,58)/b11-10+,18-17+,21-12-,47-19+

InChIKey

BUWMICSLGILFCU-XVNGQITHSA-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)c5ccc(cc5)Br)/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 18mg/kg (18mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.