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Substance Name: 11a-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide mono(toluene-p-sulphonate)
RN: 39649-76-8
InChIKey: PRDYRXHTBQXJAR-UHFFFAOYSA-N

Molecular Formula

  • C22-H21-Cl-N2-O8.C7-H8-O3-S

Molecular Weight

  • 649.0701
 
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Names and Synonyms

Synonym

  • EINECS 254-562-9

Systematic Name

  • 11a-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide mono(toluene-p-sulphonate)

Registry Numbers

CAS Registry Number

  • 39649-76-8

System Generated Number

  • 0039649768

Molecular Formulas

Molecular Formula

  • C22-H21-Cl-N2-O8.C7-H8-O3-S

Molecular Formula Fragments

  • C22-H21-Cl-N2-O8
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21ClN2O8.C7H8O3S/c1-7-8-5-4-6-9(26)10(8)17(29)21(23)12(7)16(28)13-14(25(2)3)15(27)11(19(24)31)18(30)22(13,33)20(21)32;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,12-14,16,26-28,33H,1H2,2-3H3,(H2,24,31);2-5H,1H3,(H,8,9,10)

InChIKey

PRDYRXHTBQXJAR-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.CN(C)C1C2C(C3C(=C)c4cccc(c4C(=O)C3(C(=O)C2(C(=O)C(=C1O)C(=O)N)O)Cl)O)O