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Substance Name: Mycobacidin
RN: 539-35-5
UNII: UX05P33K8J
InChIKey: CSOJYIADHHNGRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H15-N-O3-S

Molecular Weight

  • 217.288
 
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Names and Synonyms

Name of Substance

  • Mycobacidin

Synonyms

  • 4-Oxo-2-thiazolidinehexanoic acid
  • Acidomycin
  • Actithiazic acid
  • Cinnamonin
  • Mycobacidin
  • UNII-UX05P33K8J

Systematic Name

  • 2-Thiazolidinehexanoic acid, 4-oxo-

Registry Numbers

CAS Registry Number

  • 539-35-5

FDA UNII

  • UX05P33K8J

System Generated Number

  • 0000539355

Structure Descriptors

InChI

1S/C9H15NO3S/c11-7-6-14-8(10-7)4-2-1-3-5-9(12)13/h8H,1-6H2,(H,10,11)(H,12,13)

InChIKey

CSOJYIADHHNGRM-UHFFFAOYSA-N

Smiles

S1CC(=O)N[C@@H]1CCCCCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500mg/kg (2500mg/kg)   Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. Vol. 14, Pg. 60, 1955.
mouse LD50 intravenous 1500mg/kg (1500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 143, 1980.
mouse LD50 subcutaneous 20gm/kg (20000mg/kg)   Pharmaceutical Bulletin. Vol. 1, Pg. 84, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 139.5 deg C   EXP
pKa Dissociation Constant 5.1 (none)   EXP
log P (octanol-water) 1.070 (none)   EST
Atmospheric OH Rate Constant 6.66E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.