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Substance Name: Benzylpenicilloyl-n-propylamine
RN: 22131-71-1
InChIKey: MMBUCVYZVWXLFW-RVKKMQEKSA-N

Note

  • Lactam ring opened so inactive; used to detect penicillin allergy.

Molecular Formula

  • C19-H25-N3-O3-S

Molecular Weight

  • 375.4905
 
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Names and Synonyms

Name of Substance

  • Benzylpenicilloyl-n-propylamine

Synonym

  • BP-Propylamine

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxamide, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-N-propyl-, (2S-(2alpha,5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 22131-71-1

System Generated Number

  • 0022131711

Structure Descriptors

InChI

1S/C19H25N3O3S/c1-4-10-20-16(24)15-19(2,3)26-18-14(17(25)22(15)18)21-13(23)11-12-8-6-5-7-9-12/h5-9,14-15,18H,4,10-11H2,1-3H3,(H,20,24)(H,21,23)/t14-,15+,18-/m1/s1

InChIKey

MMBUCVYZVWXLFW-RVKKMQEKSA-N

Smiles

CCCNC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc3ccccc3)C2=O