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Substance Name: Adriamycin 14-thiopropionate
RN: 102045-67-0
InChIKey: CHQMQLOAJJBABN-UHFFFAOYSA-N

Molecular Formula

  • C29-H31-N-O11-S

Molecular Weight

  • 601.626
 
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Names and Synonyms

Results Name

  • Adriamycin 14-thiopropionate

Synonym

  • Adriamycin 14-thiopropionate

Systematic Name

  • Ethanethioic 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

  • 102045-67-0

System Generated Number

  • 0102045670

Structure Descriptors

InChI

1S/C29H31NO11S/c1-11-24(33)15(30)7-19(40-11)41-17-9-29(38,18(32)10-42-12(2)31)8-14-21(17)28(37)23-22(26(14)35)25(34)13-5-4-6-16(39-3)20(13)27(23)36/h4-6,11,15,17,19,24,33,35,37-38H,7-10,30H2,1-3H3

InChIKey

CHQMQLOAJJBABN-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(C)=O)=O)OC)O[C@@H]([C@@H]1O)C