Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 300-477-8
RN: 93940-78-4
InChIKey: JBNIKFQAZRRQRR-FCAQQBEJSA-N

Molecular Formula

  • C22-H24-N2-O8.C5-H7-N-O3

Molecular Weight

  • 573.5519
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 300-477-8

Synonym

  • EINECS 300-477-8

Systematic Name

  • l-Proline, 5-oxo-, compd. with (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)

Registry Numbers

CAS Registry Number

  • 93940-78-4

System Generated Number

  • 0093940784

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.C5-H7-N-O3

Molecular Formula Fragments

  • C22-H24-N2-O8
  • C5-H7-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.C5H7NO3/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;7-4-2-1-3(6-4)5(8)9/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);3H,1-2H2,(H,6,7)(H,8,9)/t9-,10-,15-,21-,22-;3-/m00/s1

InChIKey

JBNIKFQAZRRQRR-FCAQQBEJSA-N

Smiles

C[C@@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O.C1CC(=O)N[C@@H]1C(=O)O