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Substance Name: Rifamycin B morpholide
RN: 14150-54-0
InChIKey: UBVRPYUWNUNSCJ-ZPJBJZKLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H56-N2-O14

Molecular Weight

  • 824.915
 
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Names and Synonyms

Results Name

  • Rifamycin B morpholide

Synonyms

  • BRN 5418618
  • Rifamycin B morpholide

Systematic Names

  • 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(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)oxy)acetyl)-, 21-acetate
  • Rifamycin, 4-O-(2-(4-morpholinyl)-2-oxoethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 14150-54-0

System Generated Number

  • 0014150540

Structure Descriptors

InChI

1S/C43H56N2O14/c1-21-11-10-12-22(2)42(53)44-28-19-30(56-20-31(47)45-14-17-55-18-15-45)32-33(38(28)51)37(50)26(6)40-34(32)41(52)43(8,59-40)57-16-13-29(54-9)23(3)39(58-27(7)46)25(5)36(49)24(4)35(21)48/h10-13,16,19,21,23-25,29,35-36,39,48-51H,14-15,17-18,20H2,1-9H3,(H,44,53)/b11-10+,16-13+,22-12-

InChIKey

UBVRPYUWNUNSCJ-ZPJBJZKLSA-N

Smiles

O=C(N1CCOCC1)COc1c2c3c4c(c(O)c2c(O)c(c1)NC(=O)C(=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)C=CO[C@@](C)(O4)C3=O)OC(=O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 925mg/kg (925mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 596, 1964.