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Leucocrystal violet-d6

CAT: 0804-HY-D0233SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0233SSize:1 mg
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Description
Leucocrystal violet-d6 is the deuterium labeled Leucocrystal violet[1]. Leucocrystal violet is a triphenylmethane dye which can be used to detect antimony in environmental and biological samples using spectrophotometric techniques[2][3].
CAS Number
1173023-92-1
UNSPSC
12352005
Hazard Statement
H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])N(C([2H])([2H])[2H])C(C=C1)=CC=C1C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
Molecular Formula
C25H25D6N3
Molecular Weight
379.57
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Wu J, et al. Biodegradation of leuco derivatives of triphenylmethane dyes by Sphingomonas sp. CM9. Biodegradation. 2011 Sep;22 (5) :897-904.|[3]Tiwari KK, et al. A simple and sensitive analytical method for the determination of antimony in environmental and biological samples. Anal Sci. 2006 Feb22 (2) :259-62.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Leucocrystal Violet-d6
CAS Number1173023-92-1
PubChem CID53495991
IUPAC Name4-[[4-[bis(trideuteriomethyl)amino]phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
Molecular FormulaC25H31N3
Molecular Weight379.6
XLogP5.7
Topological Polar Surface Area9.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity370
SMILES
[2H]C([2H])([2H])N(C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C([2H])([2H])[2H]
InChI
InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3/i1D3,2D3
InChIKey
OAZWDJGLIYNYMU-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Leucocrystal Violet-d6
CAS: 1173023-92-1
CID: 53495991
Formula: C25H31N3
MW: 379.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.6
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass379.289458477
Monoisotopic Mass379.289458477
Topological Polar Surface Area9.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity370
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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