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Substance Name: Rifamycin, 3-((4-morpholinylimino)methyl)-
RN: 13292-43-8
InChIKey: ANSXHXJJPSCNAA-VMGABHTRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H55-N3-O13

Molecular Weight

  • 809.904
 
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Names and Synonyms

Results Name

  • Rifamycin, 3-((4-morpholinylimino)methyl)-

Synonyms

  • 3-((4-Morpholinylimino)methyl)rifamycin
  • BRN 0603768
  • NCI 143-447
  • NSC 143447

Systematic Names

  • 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-(N-morpholinoformimidoyl)-, 21-acetate
  • Rifamycin, 3-((4-morpholinylimino)methyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 13292-43-8

System Generated Number

  • 0013292438

Structure Descriptors

InChI

1S/C42H55N3O13/c1-20-11-10-12-21(2)41(53)44-32-27(19-43-45-14-17-55-18-15-45)36(50)29-30(37(32)51)35(49)25(6)39-31(29)40(52)42(8,58-39)56-16-13-28(54-9)22(3)38(57-26(7)46)24(5)34(48)23(4)33(20)47/h10-13,16,19-20,22-24,28,33-34,38,47-51H,14-15,17-18H2,1-9H3,(H,44,53)/b11-10+,16-13+,21-12-,43-19+/t20-,22+,23+,24+,28-,33-,34+,38+,42-/m0/s1

InChIKey

ANSXHXJJPSCNAA-VMGABHTRSA-N

Smiles

O1CCN(CC1)\N=C\c1c2NC(=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@@]3(C)Oc4c(c(c1O)c(c2O)c(O)c4C)C3=O)OC(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chemotherapia. Vol. 12, Pg. 155, 1967.
mouse LD50 intravenous 510mg/kg (510mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 531, 1977.