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Substance Name: Penicillanic acid
RN: 87-53-6
UNII: PIS09H0QIX
InChIKey: RBKMMJSQKNKNEV-RITPCOANSA-N

Note

  • A building block of penicillin, devoid of significant antibacterial activity. (From Merck Index, 11th ed)

Molecular Formula

  • C8-H11-N-O3-S

Molecular Weight

  • 201.2449
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
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Names and Synonyms

Name of Substance

  • Penicillanic acid

MeSH Heading

  • Penicillanic acid

Synonyms

  • EINECS 201-750-3
  • Penicillanic acid
  • UNII-PIS09H0QIX

Systematic Names

  • (2S-cis)-3,3-Dimethyl-7-oxo-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-, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 87-53-6

FDA UNII

  • PIS09H0QIX

System Generated Number

  • 0000087536

Structure Descriptors

InChI

1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

InChIKey

RBKMMJSQKNKNEV-RITPCOANSA-N

Smiles

CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.740 (none)   EST
Atmospheric OH Rate Constant 5.69E-11 cm3/molecule-sec 25 EST

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