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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, 1-butyl-2,2-dipropylhydrazide
RN: 38123-26-1
InChIKey: OADCYAGMGNVEAE-RHWMBJLFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H71-N3-O13

Molecular Weight

  • 910.108
 
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Names and Synonyms

Synonyms

  • BRN 5418895
  • Rifamycin B butyldipropylhydrazide

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, 1-butyl-2,2-dipropylhydrazide

Registry Numbers

CAS Registry Number

  • 38123-26-1

System Generated Number

  • 0038123261

Structure Descriptors

InChI

1S/C49H71N3O13/c1-13-16-23-52(51(21-14-2)22-15-3)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)63-24-20-35(61-12)29(6)45(64-33(10)53)31(8)42(56)30(7)41(55)27(4)18-17-19-28(5)48(60)50-34/h17-20,24-25,27,29-31,35,41-42,45,55-58H,13-16,21-23,26H2,1-12H3,(H,50,60)/b18-17+,24-20+,28-19-/t27-,29+,30+,31+,35-,41-,42+,45+,49-/m0/s1

InChIKey

OADCYAGMGNVEAE-RHWMBJLFSA-N

Smiles

c12c3O[C@@](C2=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H](O)[C@H](C=CC=C(C(Nc2cc(c1c(c2O)c(c3C)O)OCC(N(N(CCC)CCC)CCCC)=O)=O)C)C)C)O)C)OC(=O)C)C)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 209mg/kg (209mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.