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Substance Name: Tetracyclinenitril
RN: 4199-33-1
InChIKey: HISOCSRUFLPKDE-RJXLLEDASA-N

Molecular Formula

  • C22-H22-N2-O7

Molecular Weight

  • 426.423
 
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Names and Synonyms

Results Name

  • Tetracyclinenitril

Synonym

  • Tetracyclinenitril

Systematic Name

  • 2-Naphthacenecarbonitrile, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-

Registry Numbers

CAS Registry Number

  • 4199-33-1

System Generated Number

  • 0004199331

Structure Descriptors

InChI

1S/C22H22N2O7/c1-21(30)10-5-4-6-13(25)14(10)18(27)15-11(21)7-12-16(24(2)3)17(26)9(8-23)19(28)22(12,31)20(15)29/h4-6,11-12,16,25-26,29-31H,7H2,1-3H3/t11-,12-,16-,21+,22+/m0/s1

InChIKey

HISOCSRUFLPKDE-RJXLLEDASA-N

Smiles

C1(C(=C([C@H]([C@@H]2C[C@@H]3[C@](c4cccc(c4C(C3=C([C@@]12O)O)=O)O)(C)O)N(C)C)O)C#N)=O