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Substance Name: Streptocycline
RN: 8069-81-6
InChIKey: QMZUZKNCCQJCCS-OWWKMAFPSA-N

Molecular Formula

  • C22-H23-Cl-N2-O8.C21-H39-N7-O12.Cl-H.3/2H2-O4-S

Molecular Weight

  • 1936.2683
 
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Names and Synonyms

Results Name

  • Streptocycline

Synonyms

  • Streptocyclin
  • Streptocycline

Systematic Name

  • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with (4S-(4alpha,4aalpha,5alpha,6beta,12aalpha))-7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-

Registry Numbers

CAS Registry Number

  • 8069-81-6

System Generated Number

  • 0008069816

Molecular Formulas

Molecular Formula

  • C22-H23-Cl-N2-O8.C21-H39-N7-O12.Cl-H.3/2H2-O4-S

Molecular Formula Fragments

  • C21-H39-N7-O12
  • C22-H23-Cl-N2-O8
  • Cl-H
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C22H23ClN2O8.2C21H39N7O12.3H2O4S/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;2*1-5-21(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;3*1-5(2,3)4/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t7-,8-,15-,21-,22-;2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m000.../s1

InChIKey

QMZUZKNCCQJCCS-OWWKMAFPSA-N

Smiles

CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O.CN[C@H]4[C@H](O)[C@@H](O)[C@H](CO)O[C@H]4O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]6NC(=N)N)O[C@@H](C)[C@]5(O)C=O.CN(C)[C@H]7[C@@H]8C[C@H]9C(=C(O)[C@]8(O)C(=O)C(=C7O)C(=O)N)C(=O)c%10c(O)ccc(Cl)c%10[C@@]9(C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O