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Substance Name: 14-Pentyl-14-thiaadriamycin
RN: 83291-65-0
InChIKey: WCMBGDLJQWWOOF-UHFFFAOYSA-N

Molecular Formula

  • C32-H39-N-O10-S

Molecular Weight

  • 629.723
 
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Names and Synonyms

Results Name

  • 14-Pentyl-14-thiaadriamycin

Synonym

  • 14-Pentyl-14-thiaadriamycin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 83291-65-0

System Generated Number

  • 0083291650

Structure Descriptors

InChI

1S/C32H39NO10S/c1-4-5-6-10-44-14-21(34)32(40)12-17-24(20(13-32)43-22-11-18(33)27(35)15(2)42-22)31(39)26-25(29(17)37)28(36)16-8-7-9-19(41-3)23(16)30(26)38/h7-9,15,18,20,22,27,35,37,39-40H,4-6,10-14,33H2,1-3H3

InChIKey

WCMBGDLJQWWOOF-UHFFFAOYSA-N

Smiles

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