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Substance Name: Adriamycin aglycone
RN: 24385-10-2
UNII: X023T6C35L
InChIKey: IBZGBXXTIGCACK-CWKPULSASA-N

Molecular Formula

  • C21-H18-O9

Molecular Weight

  • 414.364
 
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Names and Synonyms

Name of Substance

  • Adriamycin aglycone

Synonyms

  • CCRIS 7633
  • Doxorubicin aglycone
  • UNII-X023T6C35L

Systematic Names

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
  • Adriamycinone

Registry Numbers

CAS Registry Number

  • 24385-10-2

FDA UNII

  • X023T6C35L

System Generated Number

  • 0024385102

Structure Descriptors

InChI

1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1

InChIKey

IBZGBXXTIGCACK-CWKPULSASA-N

Smiles

c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c1c(c2O)C[C@@](C[C@@H]1O)(C(=O)CO)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.74 (none)   EXP
Water Solubility 3.360 mg/L 25 EST
Vapor Pressure 9.26E-20 mm Hg 25 EST
Henry's Law Constant 1.83E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.51E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.