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Substance Name: Cephacetrile sodium [USAN:USP]
RN: 23239-41-0
UNII: 87TH1FJY1N
InChIKey: GXCRUTWHNMMJEK-WYUVZMMLSA-M

Notes

  • A derivative of 7-aminocephalosporanic acid.
  • Derivative of 7-aminocephalosporanic acid.

Molecular Formula

  • C13-H13-N3-O6-S.Na

Molecular Weight

  • 361.3088
 

Classification Codes

  • Antibacterial
  • Drug / Therapeutic Agent
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Cephacetrile sodium [USAN:USP]

MeSH Heading

  • Cephacetrile

Synonyms

  • Ba 36278A
  • C 36,278-Ba
  • Cefacetrile sodium
  • Celospor
  • Celtol
  • Celtol Ampullen
  • Cephacetrile sodium
  • Ciba 36278-Ba
  • Cristacef
  • EINECS 245-513-2
  • Monosodium (6R,7R)-7-(2-cyanoacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate (ester)
  • Sodium 7-(2-cyanoacetamido)cephalosporanic acid
  • Sodium cefacetril
  • Sodium cephacetrile
  • UNII-87TH1FJY1N

Systematic Names

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((cyanoacetyl)amino)-8-oxo-, monosodium salt (6R-trans)-
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-cyanoacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester), monosodium salt
  • Sodium (6R-trans)-3-(acetoxymethyl)-7-(cyanoacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Registry Numbers

CAS Registry Number

  • 23239-41-0

FDA UNII

  • 87TH1FJY1N

Related Registry Numbers

  • 23239-41-0 (mono-hydrochloride salt)
  • 23239-41-0 (Parent)

System Generated Number

  • 0023239410

Molecular Formulas

Molecular Formula

  • C13-H13-N3-O6-S.Na

Molecular Formula Fragments

  • C13-H13-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1/t9-,12-;/m1./s1

InChIKey

GXCRUTWHNMMJEK-WYUVZMMLSA-M

Smiles

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intramuscular 500mg/kg (500mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
dog LDLo intravenous 6gm/kg (6000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
dog LDLo oral 500mg/kg (500mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
guinea pig LD50 subcutaneous 240mg/kg (240mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
mouse LD50 intramuscular 8800mg/kg (8800mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
mouse LD50 intravenous 3700mg/kg (3700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1459, 1974.
mouse LD50 oral 19gm/kg (19000mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakkyoku. Pharmacy. Vol. 29, Pg. 487, 1978.
mouse LD50 subcutaneous 7500mg/kg (7500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 1459, 1974.
rabbit LDLo intravenous 300mg/kg (300mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED
Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.
rat LD50 intramuscular 7700mg/kg (7700mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
rat LD50 intravenous 3100mg/kg (3100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. Vol. 2, Pg. 1, 1976.
rat LD50 oral 15100mg/kg (15100mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 222, 1978.
rat LD50 subcutaneous 11600mg/kg (11600mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES Antimicrobial Agents and Chemotherapy Vol. -, Pg. 150, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -5.350 (none)   EST
Atmospheric OH Rate Constant 1.15E-10 cm3/molecule-sec 25 EST

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