MedKoo Cat#: 127561 | Name: N-butyl Lithocholic Acid
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

N-butyl Lithocholic acid is a derivative of the secondary bile acid lithocholic acid.

Chemical Structure

N-butyl Lithocholic Acid
N-butyl Lithocholic Acid
CAS#135013-42-2

Theoretical Analysis

MedKoo Cat#: 127561

Name: N-butyl Lithocholic Acid

CAS#: 135013-42-2

Chemical Formula: C28H48O3

Exact Mass: 432.3603

Molecular Weight: 432.69

Elemental Analysis: C, 77.73; H, 11.18; O, 11.09

Price and Availability

Size Price Availability Quantity
1mg USD 250.00 2 Weeks
5mg USD 650.00 2 Weeks
10mg USD 950.00 2 Weeks
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Related CAS #
No Data
Synonym
N-butyl Lithocholic Acid; N-butyl LCA; N-butyl Lithocholate
IUPAC/Chemical Name
butyl (R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
InChi Key
DVARNCCRARJWLO-WQKHHYSQSA-N
InChi Code
InChI=1S/C28H48O3/c1-5-6-17-31-26(30)12-7-19(2)23-10-11-24-22-9-8-20-18-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h19-25,29H,5-18H2,1-4H3/t19-,20-,21-,22+,23-,24+,25+,27+,28-/m1/s1
SMILES Code
C[C@H](CCC(OCCCC)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 432.69 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL