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Substance Name: Dis-nogalamycinic acid
RN: 64267-45-4
InChIKey: HPSWLXWDFWBBLR-YFICQLNDSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C38-H47-N-O16

Molecular Weight

  • 773.78
 
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Names and Synonyms

Results Name

  • Dis-nogalamycinic acid

Synonym

  • Dis-nogalamycinic acid

Systematic Names

  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 11-((6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alph-L-mannopyranosyl)oxy)-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, (2R-(2alpha,3beta,4alph,5beta,6alpha,11beta,13alpha,14alpha))-
  • 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 3,4,5,6,9,11,12,13,14,16-decahydro-11-((6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)-(+)-

Registry Numbers

CAS Registry Number

  • 64267-45-4

System Generated Number

  • 0064267454

Structure Descriptors

InChI

1S/C38H47NO16/c1-13-31(49-7)38(4,51-9)32(50-8)35(52-13)53-18-12-36(2,48)23(33(46)47)14-10-15-20(26(42)19(14)18)27(43)21-17(40)11-16-29(22(21)25(15)41)54-34-28(44)24(39(5)6)30(45)37(16,3)55-34/h10-11,13,18,23-24,28,30-32,34-35,40,42,44-45,48H,12H2,1-9H3,(H,46,47)/t13-,18-,23-,24-,28-,30+,31-,32-,34+,35-,36-,37+,38+/m0/s1

InChIKey

HPSWLXWDFWBBLR-YFICQLNDSA-N

Smiles

C1[C@@H](c2c([C@H]([C@@]1(C)O)C(O)=O)cc1C(c3c(C(c1c2O)=O)c(cc1[C@@]2([C@@H]([C@H]([C@@H]([C@@H](Oc31)O2)O)N(C)C)O)C)O)=O)O[C@@H]1O[C@H]([C@H](OC)[C@@](C)(OC)[C@H]1OC)C