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Substance Name: Pyrimidine penicillin G
RN: 59413-33-1
UNII: 46917D13T1
InChIKey: ZMZWDDSEAIEIPT-LQDWTQKMSA-N

Molecular Formula

  • C16-H18-N2-O4-S.x-C4-H4-N2

Molecular Weight

  • 414.4838
 
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Names and Synonyms

Name of Substance

  • Pyrimidine penicillin G

Synonym

  • UNII-46917D13T1

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S-(2alpha,5alpha,6beta))-, compd. with pyrimidine

Registry Numbers

CAS Registry Number

  • 59413-33-1

FDA UNII

  • 46917D13T1

System Generated Number

  • 0059413331

Molecular Formulas

Molecular Formula

  • C16-H18-N2-O4-S.x-C4-H4-N2

Molecular Formula Fragments

  • C16-H18-N2-O4-S
  • C4-H4-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H18N2O4S.C4H4N2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-2-5-4-6-3-1/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-4H/t11-,12+,14-;/m1./s1

InChIKey

ZMZWDDSEAIEIPT-LQDWTQKMSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.c1cncnc1