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Substance Name: Benzathine amoxicillin
RN: 119290-50-5
InChIKey: QOQQTHNQYWCQOU-KKOSCDKOSA-N

Molecular Formula

  • C16-H20-N2.2C16-H19-N3-O5-S

Molecular Weight

  • 971.164
 
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Names and Synonyms

Results Name

  • Benzathine amoxicillin

Synonym

  • Benzathine amoxicillin (1:2)

Systematic Name

  • 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, bis((2S-(2alpha,5alpha,6beta(S*)))-6-((amino(4-hydroxyphenyl)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate))

Registry Numbers

CAS Registry Number

  • 119290-50-5

System Generated Number

  • 0119290505

Molecular Formulas

Molecular Formula

  • C16-H20-N2.2C16-H19-N3-O5-S

Molecular Formula Fragments

  • C16-H19-N3-O5-S
  • C16-H20-N2
  • COMPONENT

Structure Descriptors

InChI

1S/2C16H19N3O5S.C16H20N2/c2*1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);1-10,17-18H,11-14H2/t2*9?,10-,11+,14-;/m11./s1

InChIKey

QOQQTHNQYWCQOU-KKOSCDKOSA-N

Smiles

C(CNCc1ccccc1)NCc1ccccc1.N12[C@@H](C(=O)O)C(C)(C)S[C@@H]2[C@@H](NC(=O)[C@@H](c2ccc(cc2)O)N)C1=O.N12C([C@H]([C@H]1SC(C)(C)[C@@H]2C(=O)O)NC(=O)[C@@H](c1ccc(cc1)O)N)=O