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Substance Name: Oxacyclotriacontan-2-one, 20-(2,10-bis(sulfooxy)undecyl)-16,18-bis(sulfooxy)-
RN: 85756-55-4
InChIKey: MFTMQPMRSOHMJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H78-O18-S4

Molecular Weight

  • 975.3022
 
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Names and Synonyms

Synonyms

  • 20-(2,10-Bis(sulfooxy)undecyl)-16,18-bis(sulfooxy)oxacyclotriacontan-2-one
  • Antibiotic 299B
  • Dihydrodotricolide
  • MG 299-B

Systematic Name

  • Oxacyclotriacontan-2-one, 20-(2,10-bis(sulfooxy)undecyl)-16,18-bis(sulfooxy)-

Registry Numbers

CAS Registry Number

  • 85756-55-4

System Generated Number

  • 0085756554

Structure Descriptors

InChI

1S/C40H78O18S4/c1-35(55-59(42,43)44)27-21-15-14-19-25-29-37(56-60(45,46)47)33-36-28-22-16-10-7-5-8-12-18-24-31-39(58-62(51,52)53)34-38(57-61(48,49)50)30-23-17-11-6-3-2-4-9-13-20-26-32-40(41)54-36/h35-39H,2-34H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)

InChIKey

MFTMQPMRSOHMJY-UHFFFAOYSA-N

Smiles

CC(CCCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCCCCC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180ug/kg (0.18mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #82-200380,
mouse LD50 oral > 250mg/kg (250mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #82-200380,