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Substance Name: Adriamycin 14-thiobutyrate
RN: 101980-74-9
InChIKey: URBSPOJXXBMEIV-UHFFFAOYSA-N

Molecular Formula

  • C30-H33-N-O11-S

Molecular Weight

  • 615.653
 
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Names and Synonyms

Results Name

  • Adriamycin 14-thiobutyrate

Synonym

  • Adriamycin 14-thiobutyrate

Systematic Name

  • Propanethioic acid, S-(2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl) ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 101980-74-9

System Generated Number

  • 0101980749

Structure Descriptors

InChI

1S/C30H33NO11S/c1-4-19(33)43-11-18(32)30(39)9-14-22(17(10-30)42-20-8-15(31)25(34)12(2)41-20)29(38)24-23(27(14)36)26(35)13-6-5-7-16(40-3)21(13)28(24)37/h5-7,12,15,17,20,25,34,36,38-39H,4,8-11,31H2,1-3H3

InChIKey

URBSPOJXXBMEIV-UHFFFAOYSA-N

Smiles

N[C@@H]1C[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(cccc5C(=O)c4c(O)c3C[C@@](C2)(O)C(CSC(CC)=O)=O)OC)O[C@@H]([C@@H]1O)C