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Substance Name: EINECS 302-913-2
RN: 94135-43-0
InChIKey: KEOMOMLLINFIMD-IZGCTLQUSA-N

Molecular Formula

  • C22-H24-N2-O8.C6-H13-N-O3-S

Molecular Weight

  • 623.6763
 
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Names and Synonyms

Results Name

  • EINECS 302-913-2

Synonym

  • EINECS 302-913-2

Systematic Name

  • Sulfamic acid, cyclohexyl-, 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

  • 94135-43-0

System Generated Number

  • 0094135430

Molecular Formulas

Molecular Formula

  • C22-H24-N2-O8.C6-H13-N-O3-S

Molecular Formula Fragments

  • C22-H24-N2-O8
  • C6-H13-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H24N2O8.C6H13NO3S/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;8-11(9,10)7-6-4-2-1-3-5-6/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);6-7H,1-5H2,(H,8,9,10)/t9-,10-,15-,21-,22-;/m0./s1

InChIKey

KEOMOMLLINFIMD-IZGCTLQUSA-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.C1CCC(CC1)NS(=O)(=O)O