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Substance Name: 3'-(4-Morpholinyl)-3'-deaminodaunorubicin
RN: 79867-78-0
InChIKey: OYIWRKOSDGPKFD-NMOJSDROSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C31-H35-N-O11

Molecular Weight

  • 597.6135
 
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Names and Synonyms

Name of Substance

  • 3'-(4-Morpholinyl)-3'-deaminodaunorubicin

Synonyms

  • 3'-(4-Morpholinyl)-3'-deaminodaunorubicin
  • BRN 5232668
  • CCRIS 5081

Systematic Names

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-
  • 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 79867-78-0

Other Registry Number

  • 94730-46-8

System Generated Number

  • 0079867780

Structure Descriptors

InChI

1S/C31H35NO11/c1-14-26(34)18(32-7-9-41-10-8-32)11-21(42-14)43-20-13-31(39,15(2)33)12-17-23(20)30(38)25-24(28(17)36)27(35)16-5-4-6-19(40-3)22(16)29(25)37/h4-6,14,18,20-21,26,34,36,38-39H,7-13H2,1-3H3/t14?,18-,20?,21-,26-,31?/m0/s1

InChIKey

OYIWRKOSDGPKFD-NMOJSDROSA-N

Smiles

CC1[C@@H]([C@H](C[C@@H](O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N6CCOCC6)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.31 (none)   EXP
Water Solubility 5.330 mg/L 25 EST
Vapor Pressure 2.71E-24 mm Hg 25 EST
Henry's Law Constant 4.71E-27 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.62E-10 cm3/molecule-sec 25 EST

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