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Substance Name: AD 202
RN: 105192-72-1
InChIKey: ZKZMHCFSSXVOHD-UHFFFAOYSA-N

Molecular Formula

  • C40-H53-N-O12

Molecular Weight

  • 739.854
 
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Names and Synonyms

Name of Substance

  • AD 202

Synonyms

  • AD-202
  • AD202 Cpd
  • N,N-Di-(n-butyl)adriamycin-14-valerate
  • N,N-Di-(n-butyl)doxorubicin-14-valerate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105192-72-1

System Generated Number

  • 0105192721

Structure Descriptors

InChI

1S/C40H53NO12/c1-6-9-15-29(43)51-21-28(42)40(49)19-24-32(39(48)34-33(37(24)46)36(45)23-13-12-14-26(50-5)31(23)38(34)47)27(20-40)53-30-18-25(35(44)22(4)52-30)41(16-10-7-2)17-11-8-3/h12-14,22,25,27,30,35,44,46,48-49H,6-11,15-21H2,1-5H3

InChIKey

ZKZMHCFSSXVOHD-UHFFFAOYSA-N

Smiles

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