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Substance Name: Adriamycin 14-thiobenzoate
RN: 101980-76-1
InChIKey: MILKFEGXZHGXCC-UHFFFAOYSA-N

Molecular Formula

  • C32-H37-N-O11-S

Molecular Weight

  • 643.706
 
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Names and Synonyms

Results Name

  • Adriamycin 14-thiobenzoate

Synonym

  • Adriamycin 14-thiobenzoate

Systematic Name

  • Pentanethioic 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

  • 101980-76-1

System Generated Number

  • 0101980761

Structure Descriptors

InChI

1S/C32H37NO11S/c1-4-5-9-21(35)45-13-20(34)32(41)11-16-24(19(12-32)44-22-10-17(33)27(36)14(2)43-22)31(40)26-25(29(16)38)28(37)15-7-6-8-18(42-3)23(15)30(26)39/h6-8,14,17,19,22,27,36,38,40-41H,4-5,9-13,33H2,1-3H3

InChIKey

MILKFEGXZHGXCC-UHFFFAOYSA-N

Smiles

N[C@@H]1[C@@H]([C@@H](O[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(C(=O)c4c(O)c3C[C@@](C2)(O)C(CSC(CCCC)=O)=O)cccc5OC)C1)C)O