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Substance Name: Orcein
RN: 1400-62-0
UNII: 655WAW52F4
InChIKey: VPEASJIRGSVXBF-UHFFFAOYSA-N

Classification Code

  • Coloring Agents

Molecular Formula

  • Unspecified

Molecular Weight

  • 500.505
 
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Names and Synonyms

Name of Substance

  • Orcein
  • Pacein

Synonyms

  • EINECS 215-750-6
  • Orcein
  • UNII-655WAW52F4

Systematic Name

  • Orcein

Registry Numbers

CAS Registry Number

  • 1400-62-0

FDA UNII

  • 655WAW52F4

System Generated Number

  • 0001400620

Structure Descriptors

InChI

1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3

InChIKey

VPEASJIRGSVXBF-UHFFFAOYSA-N

Smiles

c12c3c(=CC(C(=C3C)Nc3c(cc(O)cc3C)O)=O)oc1=CC(C(=C2C)Nc1c(cc(O)cc1C)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.030 (none)   EST
Atmospheric OH Rate Constant 2.62E-10 cm3/molecule-sec 25 EST

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