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Substance Name: Spectinomycin [INN:BAN]
RN: 1695-77-8
UNII: 93AKI1U6QF
InChIKey: UNFWWIHTNXNPBV-WXKVUWSESA-N

Note

  • An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.

Molecular Formula

  • C14-H24-N2-O7

Molecular Weight

  • 332.3506
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Drug / Therapeutic Agent
  • Natural Product
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Names and Synonyms

Name of Substance

  • Spectinomycin
  • Spectinomycin [INN:BAN]

MeSH Heading

  • Spectinomycin

Synonyms

  • Actinospectacin
  • Actinospectacina
  • Actinospectacina [Italian]
  • Antibiotic 2233wp
  • BRN 2171701
  • EINECS 216-911-3
  • Espectinomicina
  • Espectinomicina [INN-Spanish]
  • M-141
  • Spectam
  • Spectinomicina
  • Spectinomicina [Italian]
  • Spectinomycin
  • Spectinomycine
  • Spectinomycine [INN-French]
  • Spectinomycinum
  • Spectinomycinum [INN-Latin]
  • Togamycin
  • Trobicin
  • U 18409 E
  • UNII-93AKI1U6QF

Systematic Names

  • 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-
  • 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • Spectinomycin

Registry Numbers

CAS Registry Number

  • 1695-77-8

FDA UNII

  • 93AKI1U6QF

Related Registry Numbers

  • 21736-83-4 (di-hydrochloride, anhydrous)
  • 22189-32-8 (di-hydrochloride, pentahydrate)

System Generated Number

  • 0001695778

Structure Descriptors

InChI

1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

InChIKey

UNFWWIHTNXNPBV-WXKVUWSESA-N

Smiles

C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD intravenous > 800mg/kg (800mg/kg) BEHAVIORAL: ATAXIA Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
dog LD oral > 1gm/kg (1000mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
monkey LD oral > 500mg/kg (500mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
mouse LD intravenous > 2gm/kg (2000mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA
Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
mouse LD50 intravenous 2gm/kg (2000mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 105, 1967.
mouse LDLo oral 20gm/kg (20000mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
rabbit LD unreported > 40mg/kg (40mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Antimicrobial Agents and Chemotherapy Vol. -, Pg. 507, 1961.
rat LD50 intraperitoneal 5724mg/kg (5724mg/kg)   Bollettino Chimico Farmaceutico. Vol. 111, Pg. 265, 1972.
rat LD50 oral > 5gm/kg (5000mg/kg)   Bollettino Chimico Farmaceutico. Vol. 111, Pg. 265, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 6.95 (none)   EXP
log P (octanol-water) -0.820 (none)   EST
Atmospheric OH Rate Constant 3.15E-10 cm3/molecule-sec 25 EST

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