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Substance Name: Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-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-9-yl)oxy)-, 21-acetate, 2,2-dibutyl-1-ethylhydrazide
RN: 38123-28-3
InChIKey: IGGFRTRKZAPDSI-GDPONQQASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H71-N3-O3

Molecular Weight

  • 910.1079
 
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Names and Synonyms

Synonym

  • Rifamycin B dibutylethylhydrazide

Systematic Name

  • Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-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-9-yl)oxy)-, 21-acetate, 2,2-dibutyl-1-ethylhydrazide

Registry Numbers

CAS Registry Number

  • 38123-28-3

System Generated Number

  • 0038123283

Structure Descriptors

InChI

1S/C49H71N3O13/c1-13-16-22-51(23-17-14-2)52(15-3)37(54)26-62-36-25-34-44(58)39-38(36)40-46(32(9)43(39)57)65-49(11,47(40)59)63-24-21-35(61-12)29(6)45(64-33(10)53)31(8)42(56)30(7)41(55)27(4)19-18-20-28(5)48(60)50-34/h18-21,24-25,27,29-31,35,41-42,45,55-58H,13-17,22-23,26H2,1-12H3,(H,50,60)/b19-18+,24-21+,28-20-

InChIKey

IGGFRTRKZAPDSI-GDPONQQASA-N

Smiles

CCCCN(CCCC)N(CC)C(=O)COc1cc2c(c3c1c4c(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 188mg/kg (188mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.