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Substance Name: Everninomicin D
RN: 39340-46-0
InChIKey: HZLMUDOBOCVXQT-YOQBUGDQSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Organometallic

Molecular Formula

  • C66-H99-Cl2-N-O35

Molecular Weight

  • 1537.39
 
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Names and Synonyms

Results Name

  • Everninomicin D

Synonyms

  • BRN 1679197
  • Everninomicin D

Systematic Names

  • 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)-O-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-O-2,6-dideoxy-3-C-methyl-beta-D-arabino-hexopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-
  • Flambamycin, 57-demethyl-45-O-de(2-methyl-1-oxopropyl)-59-deoxo-23-deoxy-59-methoxy-45-O-methyl-12-O-(2,3,6-trideoxy-3-C-methyl-4-O-methyl-3-nitro-alpha-L-arabino-hexopyranosyl)-, (59S)-

Registry Numbers

CAS Registry Number

  • 39340-46-0

System Generated Number

  • 0039340460

Structure Descriptors

InChI

1S/C66H99Cl2NO35/c1-25-39(50(81-13)41(68)42(71)40(25)67)58(74)97-46-26(2)89-36(17-33(46)93-37-19-62(8,69(76)77)54(84-16)29(5)90-37)95-45-28(4)100-65(18-32(45)70)103-55-30(6)91-38(20-63(55,9)104-65)96-51-44(73)59(92-27(3)47(51)80-12)98-48-34(21-78-10)94-61(52(82-14)43(48)72)99-60-53(83-15)49-35(22-85-60)101-66(102-49)57-56(86-24-87-57)64(75,23-88-66)31(7)79-11/h26-38,43-49,51-57,59-61,70-73,75H,17-24H2,1-16H3/t26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,43+,44-,45-,46-,47+,48-,49-,51-,52+,53-,54+,55-,56-,57-,59+,60+,61+,62+,63-,64-,65-,66-/m1/s1

InChIKey

HZLMUDOBOCVXQT-YOQBUGDQSA-N

Smiles

O1[C@@H](O[C@H]2[C@H](OC(c3c(C)c(Cl)c(c(c3OC)Cl)O)=O)[C@@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@]4(C[C@H]3O)O[C@@]3(C)[C@H](O4)[C@H](O[C@H](C3)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OC)C)O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)OC)O[C@@H]3OC[C@H]4[C@H]([C@H]3OC)O[C@@]3(OC[C@@]([C@H]5[C@H]3OCO5)([C@@H](OC)C)O)O4)COC)O)C)C2)C[C@@]([N+]([O-])=O)(C)[C@H]([C@@H]1C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intramuscular > 140mg/kg (140mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 38, 1964.
mouse LD50 intravenous 125mg/kg (125mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 24, 1964.
rabbit LD50 intramuscular > 300mg/kg (300mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 38, 1964.
rat LD50 intramuscular > 400mg/kg (400mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 38, 1964.