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Substance Name: Penicillin dihydrostreptomycin
RN: 8017-41-2
InChIKey: SCKOZAOOPAANGA-QTJXDAAMSA-N

Molecular Formula

  • C21-H41-N7-O12.C16-H18-N2-O4-S.C13-H20-N2-O2

Molecular Weight

  • 1154.3
 
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Names and Synonyms

Results Name

  • Penicillin dihydrostreptomycin

Synonym

  • Penicillin dihydrostreptomycin

Systematic Name

  • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, mixt. with 2-(diethylamino)ethyl 4-aminobenzoate mono((2S-(2alpha,5alpha,6beta))-3,3-dimethyl-6-((phenylacetyl)amino)-4-thio-1-azabicyclo(3.2.0)heptane-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 8017-41-2

System Generated Number

  • 0008017412

Molecular Formulas

Molecular Formula

  • C21-H41-N7-O12.C16-H18-N2-O4-S.C13-H20-N2-O2

Molecular Formula Fragments

  • C13-H20-N2-O2
  • C16-H18-N2-O4-S
  • C21-H41-N7-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C21H41N7O12.C16H18N2O4S.C13H20N2O2/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;11-,12+,14-;/m01./s1

InChIKey

SCKOZAOOPAANGA-QTJXDAAMSA-N

Smiles

C(=O)(OCCN(CC)CC)c1ccc(cc1)N.N12[C@H](C(C)(C)S[C@@H]2[C@@H](NC(=O)Cc2ccccc2)C1=O)C(=O)O.N([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)NC(=N)N)O[C@H]1[C@@H]([C@@]([C@@H](O1)C)(O)CO)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)NC)O)O)C(=N)N