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Substance Name: Adriamycin 14-thiovalerate
RN: 101980-75-0
InChIKey: ZAJMGFPSIIBVJA-UHFFFAOYSA-N

Molecular Formula

  • C31-H35-N-O11-S

Molecular Weight

  • 629.68
 
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Names and Synonyms

Results Name

  • Adriamycin 14-thiovalerate

Synonym

  • Adriamycin 14-thiovalerate

Systematic Name

  • Butanethioic 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

  • 101980-75-0

System Generated Number

  • 0101980750

Structure Descriptors

InChI

1S/C31H35NO11S/c1-4-6-20(34)44-12-19(33)31(40)10-15-23(18(11-31)43-21-9-16(32)26(35)13(2)42-21)30(39)25-24(28(15)37)27(36)14-7-5-8-17(41-3)22(14)29(25)38/h5,7-8,13,16,18,21,26,35,37,39-40H,4,6,9-12,32H2,1-3H3

InChIKey

ZAJMGFPSIIBVJA-UHFFFAOYSA-N

Smiles

N[C@@H]1[C@@H]([C@@H](O[C@@H](O[C@@H]2c3c(O)c4C(=O)c5c(cccc5C(=O)c4c(O)c3C[C@@](C2)(O)C(CSC(CCC)=O)=O)OC)C1)C)O