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Substance Name: Saframycin E
RN: 66082-31-3
InChIKey: APNOKSAARSYAPV-QOTHJRBRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N3-O9

Molecular Weight

  • 555.581
 
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Names and Synonyms

Name of Substance

  • Saframycin E

Systematic Name

  • Saframycin E

Registry Numbers

CAS Registry Number

  • 66082-31-3

System Generated Number

  • 0066082313

Structure Descriptors

InChI

1S/C28H33N3O9/c1-10-21(33)13-7-14-20-18-19(22(34)11(2)27(40-6)25(18)37)23(35)16(30(20)4)9-31(14)15(8-29-28(38)12(3)32)17(13)24(36)26(10)39-5/h14-16,20,23,34-35,37H,7-9H2,1-6H3,(H,29,38)/t14-,15-,16+,20-,23+/m0/s1

InChIKey

APNOKSAARSYAPV-QOTHJRBRSA-N

Smiles

C1(=C(OC)C(=O)C=2[C@@H]([N@@]3[C@H]([C@H]4c5c([C@@H]([C@@H](C3)[N@]4C)O)c(c(c(c5O)OC)C)O)CC2C1=O)CNC(C(C)=O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   British UK Patent Application. Vol. #2003853,