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Substance Name: 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-pentyl-1-piperazinylimino)methyl)-, 21-acetate
RN: 41971-16-8
InChIKey: JVJPEPUPTVCPQZ-LBHCSYHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H66-N4-O12

Molecular Weight

  • 879.0544
 
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Names and Synonyms

Synonym

  • BRN 5402973

Systematic Name

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-((4-pentyl-1-piperazinylimino)methyl)-, 21-acetate

Registry Numbers

CAS Registry Number

  • 41971-16-8

System Generated Number

  • 0041971168

Structure Descriptors

InChI

1S/C47H66N4O12/c1-11-12-13-18-50-19-21-51(22-20-50)48-24-32-37-42(57)35-34(41(32)56)36-44(30(7)40(35)55)63-47(9,45(36)58)61-23-17-33(60-10)27(4)43(62-31(8)52)29(6)39(54)28(5)38(53)25(2)15-14-16-26(3)46(59)49-37/h14-17,23-25,27-29,33,38-39,43,53-57H,11-13,18-22H2,1-10H3,(H,49,59)/b15-14+,23-17+,26-16-,48-24+

InChIKey

JVJPEPUPTVCPQZ-LBHCSYHWSA-N

Smiles

CCCCCN1CCN(CC1)/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)OC(C5=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)N3)/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 oral 1240mg/kg (1240mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.