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Substance Name: Acetic acid, (o-hydroxymethylphenyl)-, ((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: 57165-95-4
InChIKey: HOBFYMBTRIETNW-UOTCLJBNSA-N

Molecular Formula

  • C47-H57-N3-O14

Molecular Weight

  • 887.9743
 
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Names and Synonyms

Synonym

  • BRN 5403283

Systematic Name

  • Acetic acid, (o-hydroxymethylphenyl)-, ((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

  • 57165-95-4

System Generated Number

  • 0057165954

Structure Descriptors

InChI

1S/C47H57N3O14/c1-22-13-12-14-23(2)46(60)49-37-31(20-48-50-33(53)19-29-15-10-11-16-30(29)21-51)41(57)34-35(42(37)58)40(56)27(6)44-36(34)45(59)47(8,64-44)62-18-17-32(61-9)24(3)43(63-28(7)52)26(5)39(55)25(4)38(22)54/h10-18,20,22,24-26,32,38-39,43,51,54-58H,19,21H2,1-9H3,(H,49,60)(H,50,53)/b13-12+,18-17+,23-14-,48-20+

InChIKey

HOBFYMBTRIETNW-UOTCLJBNSA-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)Cc5ccccc5CO)/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 278mg/kg (278mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.