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Substance Name: alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin
RN: 89164-77-2
InChIKey: YWJAFMZFEVIKBM-UHFFFAOYSA-N

Molecular Formula

  • C32-H36-N2-O12

Molecular Weight

  • 640.638
 
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Names and Synonyms

Results Name

  • alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin

Synonyms

  • 10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-13-dihydroadriamycin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89164-77-2

System Generated Number

  • 0089164772

Structure Descriptors

InChI

1S/C32H36N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20-22,27,35-37,39,41-42H,6-10,12-13H2,1-2H3

InChIKey

YWJAFMZFEVIKBM-UHFFFAOYSA-N

Smiles

O=C1c2c(cccc2C(=O)c2c1c(O)c1[C@@H](C[C@@](Cc1c2O)(O)[C@@H](CO)O)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)[N@@]1[C@@H](COCC1)C#N)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.56 (none)   EXP
Water Solubility 106 mg/L 25 EST
Vapor Pressure 4.69E-29 mm Hg 25 EST
Henry's Law Constant 1.61E-33 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.13E-10 cm3/molecule-sec 25 EST

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