Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Decanoic 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: 51707-21-2
InChIKey: HDQBVZMJMKLKPF-WYKQCESISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H67-N3-O13

Molecular Weight

  • 894.0653
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Decanoic 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

  • 51707-21-2

System Generated Number

  • 0051707212

Structure Descriptors

InChI

1S/C48H67N3O13/c1-11-12-13-14-15-16-17-21-34(53)51-49-24-32-38-43(58)36-35(42(32)57)37-45(30(7)41(36)56)64-48(9,46(37)59)62-23-22-33(61-10)27(4)44(63-31(8)52)29(6)40(55)28(5)39(54)25(2)19-18-20-26(3)47(60)50-38/h18-20,22-25,27-29,33,39-40,44,54-58H,11-17,21H2,1-10H3,(H,50,60)(H,51,53)/b19-18+,23-22+,26-20-,49-24+

InChIKey

HDQBVZMJMKLKPF-WYKQCESISA-N

Smiles

CCCCCCCCCC(=O)N/N=C/c1c2c(c3c(c1O)c4c(c(c3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N2)/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 220mg/kg (220mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.