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Substance Name: Antibiotic 593a dihydrochloride
RN: 41109-80-2
UNII: D8504D0UFG
InChIKey: BTIDXNPBPKDZOX-NRKBBMOMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C14-H22-Cl2-N4-O2.2Cl-H

Molecular Weight

  • 422.182
 
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Names and Synonyms

Name of Substance

  • Antibiotic 593a dihydrochloride

Synonyms

  • 3,6-Bis(5-chloro-2-piperidyl)-2,5-piperazinedione dihydrochloride
  • 593-A
  • Actinomycete fermentation product
  • Compound 593A
  • NSC-135758
  • Piperazinedione 593A
  • UNII-D8504D0UFG

Systematic Names

  • 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidinyl)-, dihydrochloride, (3S-(3alpha(2S*,5R*),6alpha(2S*,5R*)))- (9CI)
  • 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 41109-80-2

FDA UNII

  • D8504D0UFG

System Generated Number

  • 0041109802

Molecular Formulas

Molecular Formula

  • C14-H22-Cl2-N4-O2.2Cl-H

Molecular Formula Fragments

  • C14-H22-Cl2-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22Cl2N4O2.2ClH/c15-7-1-3-9(17-5-7)11-13(21)20-12(14(22)19-11)10-4-2-8(16)6-18-10;;/h7-12,17-18H,1-6H2,(H,19,22)(H,20,21);2*1H/t7-,8-,9+,10+,11+,12+;;/m1../s1

InChIKey

BTIDXNPBPKDZOX-NRKBBMOMSA-N

Smiles

N1C(=O)[C@H]([C@H]2NC[C@H](Cl)CC2)NC([C@@H]1[C@H]1NC[C@H](Cl)CC1)=O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1500ug/kg (1.5mg/kg)   Drugs of the Future. Vol. 3, Pg. 610, 1978.
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 153, 1980.
mouse LD50 intravenous 19970ug/kg (19.97mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. PB82-165200,
mouse LD50 oral 11020ug/kg (11.02mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 8160ug/kg (8.16mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,