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Substance Name: Almecillin [INN]
RN: 87-09-2
UNII: 6246WH0S1O
InChIKey: QULKGELYPOJSLP-WCABBAIRSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C13-H18-N2-O4-S2

Molecular Weight

  • 330.4272
 
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Names and Synonyms

Results Name

  • Almecillin [INN]

Name of Substance

  • Almecillin [INN]
  • Penicillin O

Synonyms

  • (2S,5R,6R)-6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 3,3-Dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-27-00-05887 (Beilstein Handbook Reference)
  • 6-(2-(Allylthio)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • Allylmercaptomethylpenicillin
  • Allylmercaptomethylpenicillinic acid
  • Allylthiomethylpenicillin
  • Almecilina
  • Almecilina [INN-Spanish]
  • Almecillin
  • Almecillina
  • Almecillina [DCIT]
  • Almecilline
  • Almecilline [INN-French]
  • Almecillinum
  • Almecillinum [INN-Latin]
  • Almezillin
  • BRN 0044307
  • Cer-O-Cillin
  • Penicillin AT
  • Penicillin O
  • UNII-6246WH0S1O

Systematic Names

  • 3,3-Dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2-propenylthio)acetyl)amino)-

Registry Numbers

CAS Registry Number

  • 87-09-2

FDA UNII

  • 6246WH0S1O

System Generated Number

  • 0000087092

Structure Descriptors

InChI

1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1

InChIKey

QULKGELYPOJSLP-WCABBAIRSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSCC=C)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intracrebral 6490ug/kg (6.49mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 126, 1949.
dog LD50 unreported 38mg/kg (38mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 126, 1949.
mouse LD50 intracrebral 45mg/kg (45mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 126, 1949.
rabbit LD50 intracrebral 5610ug/kg (5.61mg/kg) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES Journal of Laboratory and Clinical Medicine. Vol. 34, Pg. 126, 1949.
women LDLo multiple routes 35827ug/kg/6D (35.827mg/kg) VASCULAR: STRICTIRA; CJAMGES OM VESSE;S Journal of Allergy. Vol. 31, Pg. 455, 1960.