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Substance Name: 14-(Carbethoxymethyl)-14-thiaadriamycin
RN: 83291-68-3
InChIKey: WYRVMKIPPWWNDL-UHFFFAOYSA-N

Molecular Formula

  • C31-H35-N-O12-S

Molecular Weight

  • 645.679
 
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Names and Synonyms

Results Name

  • 14-(Carbethoxymethyl)-14-thiaadriamycin

Synonym

  • 14-(Carbethoxymethyl)-14-thiaadriamycin

Systematic Name

  • Acetic acid, ((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)thio)-,ethyl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 83291-68-3

System Generated Number

  • 0083291683

Structure Descriptors

InChI

1S/C31H35NO12S/c1-4-42-20(34)12-45-11-19(33)31(40)9-15-23(18(10-31)44-21-8-16(32)26(35)13(2)43-21)30(39)25-24(28(15)37)27(36)14-6-5-7-17(41-3)22(14)29(25)38/h5-7,13,16,18,21,26,35,37,39-40H,4,8-12,32H2,1-3H3

InChIKey

WYRVMKIPPWWNDL-UHFFFAOYSA-N

Smiles

C(SCC([C@@]1(C[C@@H](c2c(O)c3C(c4c(cccc4C(=O)c3c(O)c2C1)OC)=O)O[C@@H]1C[C@@H](N)[C@@H]([C@@H](O1)C)O)O)=O)C(OCC)=O