Physicochemical Properties
Molecular Formula | C12HD8N |
Molecular Weight | 175.26 |
Exact Mass | 175.123 |
CAS # | 38537-24-5 |
Related CAS # | Carbazole;86-74-8 |
PubChem CID | 59270898 |
Appearance | Off-white to light brown solid powder |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 355.0±11.0 °C at 760 mmHg |
Flash Point | 160.0±11.9 °C |
Vapour Pressure | 0.0±0.8 mmHg at 25°C |
Index of Refraction | 1.768 |
LogP | 3.72 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 0 |
Heavy Atom Count | 13 |
Complexity | 170 |
Defined Atom Stereocenter Count | 0 |
SMILES | [2H]C1=C(C(=C2C(=C1[2H])C3=C(C(=C(C(=C3N2)[2H])[2H])[2H])[2H])[2H])[2H] |
InChi Key | UJOBWOGCFQCDNV-PGRXLJNUSA-N |
InChi Code | InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H/i1D,2D,3D,4D,5D,6D,7D,8D |
Chemical Name | 1,2,3,4,5,6,7,8-octadeuterio-9H-carbazole |
Synonyms | Carbazole-d8 |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
ln Vitro | Drug molecules have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantitation during the drug development process. Due to its potential to alter the pharmacokinetic and metabolic profiles of medications, deuteration has drawn attention[1]. |
References |
[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. A new type of DNA minor-groove complex: carbazole dication-DNA interactions. Biochemistry. 1997 Dec 9;36(49):15315-25. |
Solubility Data
Solubility (In Vitro) | DMSO : ~83.33 mg/mL (~475.5 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (11.87 mM) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 5.7058 mL | 28.5290 mL | 57.0581 mL | |
5 mM | 1.1412 mL | 5.7058 mL | 11.4116 mL | |
10 mM | 0.5706 mL | 2.8529 mL | 5.7058 mL |