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Substance Name: Primycin A(sub 1), 1,35-deepoxy-37-deoxy-1,37-epoxy-35-hydroxy-, monoacetate (salt)
RN: 128644-53-1
InChIKey: FVXNCZAMTCGPMW-ULUVAKTGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C55-H103-N3-O17.C2-H4-O2

Molecular Weight

  • 1138.4743
 
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Names and Synonyms

Synonyms

  • 1,35-Deepoxy-37-deoxy-1,37-epoxy-35-hydroxyprimycin A(sub 1) monoacetate (salt)
  • Pseudo-primycin A(sub 1) acetate

Systematic Name

  • Primycin A(sub 1), 1,35-deepoxy-37-deoxy-1,37-epoxy-35-hydroxy-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 128644-53-1

System Generated Number

  • 0128644531

Molecular Formulas

Molecular Formula

  • C55-H103-N3-O17.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C55-H103-N3-O17
  • COMPONENT

Structure Descriptors

InChI

1S/C55H103N3O17.C2H4O2/c1-7-8-19-43-50(69)33(3)22-23-38(61)17-11-16-37(60)18-12-20-44(66)34(4)26-47(74-54-52(71)51(70)48(31-59)75-54)45(67)30-42(65)29-41(64)28-40(63)27-39(62)15-10-9-14-32(2)25-35(5)49(68)36(6)46(73-53(43)72)21-13-24-58-55(56)57;1-2(3)4/h25-26,33,35-52,54,59-71H,7-24,27-31H2,1-6H3,(H4,56,57,58);1H3,(H,3,4)/b32-25+,34-26+;

InChIKey

FVXNCZAMTCGPMW-ULUVAKTGSA-N

Smiles

CCCCC1C(C(CCC(CCCC(CCCC(/C(=C\C(C(CC(CC(CC(CC(CCCC/C(=C/C(C(C(C(OC1=O)CCCNC(=N)N)C)O)C)/C)O)O)O)O)O)OC2C(C(C(O2)CO)O)O)/C)O)O)O)C)O.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13300ug/kg (13.3mg/kg)   United States Patent Document. Vol. #5091411,
mouse LD50 oral 806mg/kg (806mg/kg)   United States Patent Document. Vol. #5091411,