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Substance Name: Everninomycin B
RN: 53296-30-3
InChIKey: ZFRCWSCZDCAGAJ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C66-H99-Cl2-N-O36

Molecular Weight

  • 1553.39
 
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Names and Synonyms

Results Name

  • Everninomycin B

Synonyms

  • Everninomycin-B
  • R-451-B

Systematic Name

  • beta-D-Mannopyranoside, O-4-C-(1-methoxyethyl)-2,3-O-methylenepentopyranosylidene-(1-3-4)-2-O-methyl-alpha-L-lyxopyranosyl O-2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl-(1-3)-O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-0-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-O-6-deoxy-3-C-methyl-beta-D-mannopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-

Registry Numbers

CAS Registry Number

  • 53296-30-3

Other Registry Numbers

  • 11013-30-2
  • 50925-95-6

System Generated Number

  • 0053296303

Structure Descriptors

InChI

1S/C66H99Cl2NO36/c1-24-37(48(82-13)39(68)40(71)38(24)67)57(75)97-44-25(2)90-35(17-32(44)94-36-19-62(8,69(77)78)53(85-16)28(5)91-36)96-43-27(4)101-65(18-31(43)70)104-54-29(6)93-61(52(74)63(54,9)105-65)99-49-42(73)58(92-26(3)45(49)81-12)98-46-33(20-79-10)95-60(50(83-14)41(46)72)100-59-51(84-15)47-34(21-86-59)102-66(103-47)56-55(87-23-88-56)64(76,22-89-66)30(7)80-11/h25-36,41-47,49-56,58-61,70-74,76H,17-23H2,1-16H3

InChIKey

ZFRCWSCZDCAGAJ-UHFFFAOYSA-N

Smiles

C1[C@@]2(O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H]([C@@H](O[C@@H](O[C@@H]5[C@@H](O)[C@@H](OC)[C@@H](O[C@@H]6[C@@H](OC)[C@@H]7O[C@@]8(O[C@@H]7CO6)OC[C@@](O)([C@@H](C)OC)[C@@H]6[C@@H]8OCO6)O[C@@H]5COC)[C@@H]4O)C)OC)[C@@H](O)[C@@]3(O2)C)O[C@@H](C)[C@@H](O[C@@H]2C[C@@H]([C@@H]([C@@H](O2)C)OC(=O)c2c(c(c(c(c2C)Cl)O)Cl)OC)O[C@@H]2O[C@@H]([C@@H]([C@@](C2)(C)[N+]([O-])=O)OC)C)[C@@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 880mg/kg (880mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 354, 1980.
mouse LD50 intravenous 875mg/kg (875mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 354, 1980.
mouse LD50 subcutaneous 1700mg/kg (1700mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 354, 1980.