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Substance Name: Rifamycin B methylmorpholide
RN: 38123-18-1
InChIKey: SPBJRCNEJJZYFJ-SGYAUTJPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H58-N2-O14

Molecular Weight

  • 838.9422
 
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Names and Synonyms

Results Name

  • Rifamycin B methylmorpholide

Synonyms

  • BRN 5418696
  • Rifamycin B methylmorpholide

Systematic Name

  • Morpholine, 4-(((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(1,1,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)acetyl)-5-methyl-, 21-acetate

Registry Numbers

CAS Registry Number

  • 38123-18-1

System Generated Number

  • 0038123181

Structure Descriptors

InChI

1S/C44H58N2O14/c1-21-12-11-13-22(2)43(54)45-29-18-31(57-20-32(48)46-15-17-56-19-23(46)3)33-34(39(29)52)38(51)27(7)41-35(33)42(53)44(9,60-41)58-16-14-30(55-10)24(4)40(59-28(8)47)26(6)37(50)25(5)36(21)49/h11-14,16,18,21,23-26,30,36-37,40,49-52H,15,17,19-20H2,1-10H3,(H,45,54)/b12-11+,16-14+,22-13-

InChIKey

SPBJRCNEJJZYFJ-SGYAUTJPSA-N

Smiles

Cc1c(c2c3c(cc(c2O)NC(=O)/C(=C\C=C\C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OCC(=O)N5CCOCC5C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 950mg/kg (950mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.