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Substance Name: 4-Biphenylcarboxylic acid, ((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: 51707-05-2
InChIKey: GZPQEKLDRIRPAT-DAYFZNHMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H57-N3-O14

Molecular Weight

  • 920.0193
 
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Names and Synonyms

  • 4-Biphenylcarboxylic acid, ((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

  • 51707-05-2

System Generated Number

  • 0051707052

Structure Descriptors

InChI

1S/C51H57N3O13/c1-25-14-13-15-26(2)49(62)53-40-35(24-52-54-50(63)34-20-18-33(19-21-34)32-16-11-10-12-17-32)44(59)37-38(45(40)60)43(58)30(6)47-39(37)48(61)51(8,67-47)65-23-22-36(64-9)27(3)46(66-31(7)55)29(5)42(57)28(4)41(25)56/h10-25,27-29,36,41-42,46,56-60H,1-9H3,(H,53,62)(H,54,63)/b14-13+,23-22+,26-15-,52-24+

InChIKey

GZPQEKLDRIRPAT-DAYFZNHMSA-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)c6ccccc6)/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 265mg/kg (265mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.