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Substance Name: Noboritomycin A, 4-demethyl-4-ethyl-
RN: 68508-46-3
InChIKey: AFGBEDQMTFPVJS-SYEWQBDDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C44-H66-O14

Molecular Weight

  • 818.991
 
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Names and Synonyms

Synonyms

  • 4-Demethyl-4-ethylnoboritomycin A
  • BRN 1615206
  • Noboritomycin-B

Systematic Name

  • Noboritomycin A, 4-demethyl-4-ethyl-

Registry Numbers

CAS Registry Number

  • 68508-46-3

System Generated Number

  • 0068508463

Structure Descriptors

InChI

1S/C44H66O14/c1-12-28-14-15-29(33(36(28)49)40(50)51)21(3)18-22(4)34(47)25(7)35(48)26(8)37-23(5)19-24(6)43(56-37)17-16-31(46)44(58-43)27(9)39(53-11)42(10,57-44)32-20-30(45)38(55-32)41(52)54-13-2/h14-17,21-27,30-32,34,37-39,45-47,49H,12-13,18-20H2,1-11H3,(H,50,51)/t21?,22-,23+,24-,25+,26?,27?,30-,31?,32?,34?,37+,38?,39-,42?,43?,44?/m1/s1

InChIKey

AFGBEDQMTFPVJS-SYEWQBDDSA-N

Smiles

O1[C@@]2(O[C@@]([C@@H]3O[C@@H](C(OCC)=O)[C@@H](C3)O)(C)[C@@H]([C@@H]2C)OC)[C@@H](C=C[C@@]21O[C@@H]([C@@H](C)C[C@H]2C)[C@@H](C([C@H]([C@@H]([C@@H](C[C@@H](c1c(c(c(CC)cc1)O)C(O)=O)C)C)O)C)=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 505, 1981.
mouse LD50 intravenous 500ug/kg (0.5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 505, 1981.