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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-dipropyl-1-ethylhydrazide
RN: 38123-24-9
InChIKey: GMDQAEWPBLMRCC-PEPACOMJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C47-H67-N3-O13

Molecular Weight

  • 882.0543
 
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Names and Synonyms

Synonyms

  • BRN 5418785
  • NSC 144138
  • Rifamycin B dipropylethylhydrazide

Systematic Names

  • 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-dipropyl-1-ethylhydrazide
  • Rifamycin, 4-O-(2-(1-ethyl-2,2-dipropylhydrazino)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 38123-24-9

System Generated Number

  • 0038123249

Structure Descriptors

InChI

1S/C47H67N3O13/c1-13-20-49(21-14-2)50(15-3)35(52)24-60-34-23-32-42(56)37-36(34)38-44(30(9)41(37)55)63-47(11,45(38)57)61-22-19-33(59-12)27(6)43(62-31(10)51)29(8)40(54)28(7)39(53)25(4)17-16-18-26(5)46(58)48-32/h16-19,22-23,25,27-29,33,39-40,43,53-56H,13-15,20-21,24H2,1-12H3,(H,48,58)/b17-16+,22-19+,26-18-

InChIKey

GMDQAEWPBLMRCC-PEPACOMJSA-N

Smiles

CCCN(CCC)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 210mg/kg (210mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.