Cocoa butter could be utilized as pharmaceutical excipients, such as lubricants, suppository bases, etc. Pharmaceutical excipients or pharmaceutical auxiliaries refer to other chemical substances other than drug ingredients used in the pharmaceutical process. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients can also affect the absorption, distribution, metabolism, and elimination (ADME) processes of concomitant medications.

Physicochemical Properties

Molecular Formula	C9H10BRNO
Molecular Weight	228.08580160141
Exact Mass	409.264
CAS #	8002-31-1
PubChem CID	144074858
Appearance	Typically exists as solid at room temperature
LogP	7.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	31
Complexity	612
Defined Atom Stereocenter Count	0
SMILES	CC1/C=C\C2=CC=CC=C2NCCC3=C(C=C4CCC[N+]5=CC=CC=C5C4=C13)C(C)C
InChi Key	GGLULBFJJCXQMF-YPKPFQOOSA-N
InChi Code	InChI=1S/C29H33N2/c1-20(2)25-19-23-10-8-18-31-17-7-6-12-27(31)29(23)28-21(3)13-14-22-9-4-5-11-26(22)30-16-15-24(25)28/h4-7,9,11-14,17,19-21,30H,8,10,15-16,18H2,1-3H3/q+1/b14-13-
Chemical Name	(25Z)-27-methyl-14-propan-2-yl-18-aza-8-azoniapentacyclo[13.12.0.02,12.03,8.019,24]heptacosa-1,3,5,7,12,14,19,21,23,25-decaene
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

Toxicity/Toxicokinetics	Effects During Pregnancy and Lactation ◉ Summary of Use during Lactation Chocolate contains small amounts of caffeine and larger amounts of the closely related compound, theobromine. It also contains anandamide and two related compounds that stimulate cannabinoid receptors, tryptophan, and polyphenols. All of these compounds are detectable in breastmilk in small amounts. Low intake of chocolate by a nursing mother is not problematic, but extreme amounts can affect the infant. Cacao butter, which is derived from Theobroma cacao, was found to be superior to mother’s milk when applied to the nipples during the first 10 days postpartum. Nipple pain, rashes, and cracks were less frequent in the cacao butter group. ◉ Effects in Breastfed Infants Jitteriness in a 6-week-old breastfed infant reported by a mother who claimed to drink 4 to 5 cups of coffee and 2 to 3 bottles (about 480 mL each) of cola daily as well as occasional tea and cocoa. Upon examination, the infant was gaining weight appropriately, but had trembling and increased muscle tone. The infant's symptoms decreased markedly 2 weeks after his mother stopped all caffeine-containing beverages. A newborn infant developed irritability and jitteriness at 12 hours of life. All laboratory values were normal. The symptoms continued of the following days, accompanied by inconsolable crying, excessive sucking and sleep disturbances. Treatment with phenobarbital for 1 week did not modify symptoms. The mother did not drink coffee, but was eating about 250 grams of cocoa and chocolate daily during pregnancy and nursing. She tapered her chocolate intake over 10 days and symptoms in the infant began to diminish. Behavior was normal by 40 days of age and at 8 months of age, psychomotor development was normal. A group of dermatologists in Japan reported that of 92 exclusively breastfed infants with atopic dermatitis that they tested, 18 had positive challenges to chocolate. ◉ Effects on Lactation and Breastmilk Relevant published information was not found as of the revision date.
References	[1]. Pharmaceutical excipients - quality, regulatory and biopharmaceutical considerations. Eur J Pharm Sci. 2016 May 25;87:88-99.
Additional Infomation	See also: Cocoa Butter (annotation moved to).

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.3842 mL	21.9212 mL	43.8423 mL
	5 mM	0.8768 mL	4.3842 mL	8.7685 mL
	10 mM	0.4384 mL	2.1921 mL	4.3842 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.