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Substance Name: l-Proline, 5-oxo-, compd. with (4S-(4alpha,4aalpha,5alpha,5aalpha,12aalpha))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methylene-1,11-dioxo-2-naphthacenecarboxamide (1:1)
RN: 93963-61-2
InChIKey: MXNYEZUYRODJQN-ASXDJMBFSA-N

Molecular Formula

  • C22-H22-N2-O8.C5-H7-N-O3

Molecular Weight

  • 571.5361
 
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Names and Synonyms

Synonym

  • EINECS 300-804-4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 93963-61-2

System Generated Number

  • 0093963612

Molecular Formulas

Molecular Formula

  • C22-H22-N2-O8.C5-H7-N-O3

Molecular Formula Fragments

  • C22-H22-N2-O8
  • C5-H7-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22N2O8.C5H7NO3/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;7-4-2-1-3(6-4)5(8)9/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);3H,1-2H2,(H,6,7)(H,8,9)/t10-,14-,15+,17+,22+;3-/m10/s1

InChIKey

MXNYEZUYRODJQN-ASXDJMBFSA-N

Smiles

CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O.C1CC(=O)N[C@@H]1C(=O)O