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Substance Name: SQ 1205
RN: 50836-93-6
InChIKey: CFSNTPRZNBJYCF-KIUIHHJVSA-N

Molecular Formula

  • C33-H27-Cl2-N3-O9

Molecular Weight

  • 705.5882
 
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Names and Synonyms

Name of Substance

  • SQ 1205

Synonyms

  • Nalpha-Bis(beta-chloroethylamino)-p-hydroxybenzyltetracycline
  • SQ-1205

Systematic Names

  • (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-N-(Bis(2-chloroethylamino)(4-hydroxyphenyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
  • 2-Naphthacenecarboxamide, N-((bis(2-chloroethyl)amino)(4-hydroxyphenyl)methyl)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-

Registry Numbers

CAS Registry Number

  • 50836-93-6

System Generated Number

  • 0050836936

Structure Descriptors

InChI

1S/C33H38Cl2N4O9/c1-31(47)18-5-4-6-21(41)22(18)26(42)23-19(31)15-20-25(39(2)3)27(43)24(29(45)32(20,48)28(23)44)30(46)38-33(36-13-11-34,37-14-12-35)16-7-9-17(40)10-8-16/h4-10,19-20,25,36-37,40-41,43-44,47-48H,11-15H2,1-3H3,(H,38,46)/t19-,20-,25-,31-,32-/m0/s1

InChIKey

CFSNTPRZNBJYCF-KIUIHHJVSA-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)NC(c5ccc(cc5)O)(NCCCl)NCCCl)O)N(C)C)O)O)O)O