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Substance Name: 14-Dodecyl-14-thiaadriamycin
RN: 83291-66-1
InChIKey: KOFZHCJRLHGZNO-UHFFFAOYSA-N

Molecular Formula

  • C39-H53-N-O10-S

Molecular Weight

  • 727.911
 
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Names and Synonyms

Results Name

  • 14-Dodecyl-14-thiaadriamycin

Synonym

  • 14-Dodecyl-14-thiaadriamycin

Systematic Name

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((dodecylthio)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 83291-66-1

System Generated Number

  • 0083291661

Structure Descriptors

InChI

1S/C39H53NO10S/c1-4-5-6-7-8-9-10-11-12-13-17-51-21-28(41)39(47)19-24-31(27(20-39)50-29-18-25(40)34(42)22(2)49-29)38(46)33-32(36(24)44)35(43)23-15-14-16-26(48-3)30(23)37(33)45/h14-16,22,25,27,29,34,42,44,46-47H,4-13,17-21,40H2,1-3H3

InChIKey

KOFZHCJRLHGZNO-UHFFFAOYSA-N

Smiles

C1[C@@H](O[C@@H](C)[C@@H](O)[C@@H]1N)O[C@@H]1c2c(O)c3C(c4c(OC)cccc4C(=O)c3c(O)c2C[C@@](C1)(O)C(CSCCCCCCCCCCCC)=O)=O