MedKoo Cat#: 122906 | Name: PUN00347
Featured

Description:

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

PUN00347, also known as MDMB-4en-PINACA butanoic acid metabolite-d4, is a metabolite of MDMB-4en-PINACA.This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

PUN00347
PUN00347
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122906

Name: PUN00347

CAS#: N/A

Chemical Formula: C19H21D4N3O3

Exact Mass: 347.2100

Molecular Weight: 347.45

Elemental Analysis: C, 65.68; H, 8.41; N, 12.09; O, 13.81

Price and Availability

Size Price Availability Quantity
1mg USD 750.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
MDMB-PENINACA butanoic acid metabolite-d4; MDMB-4en-PINACA 3,3-Dimethylbutanoic acid-d4; MDMB-PINACA N1-pentyl-4-en isomer butanoic acid metabolite-d4
IUPAC/Chemical Name
(S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido-4,5,6,7-d4)butanoic acid
InChi Key
PZJJLRYZVOOSGA-UCKLEHKESA-N
InChi Code
InChI=1S/C19H25N3O3/c1-5-6-9-12-22-14-11-8-7-10-13(14)15(21-22)17(23)20-16(18(24)25)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H,20,23)(H,24,25)/t16-/m1/s1/i7D,8D,10D,11D
SMILES Code
CC(C)(C)[C@H](NC(C1=NN(CCCC=C)C2=C1C([2H])=C([2H])C([2H])=C2[2H])=O)C(O)=O
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 347.45 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
Magny R, Lefrère B, Roulland E, Auzeil N, Farah S, Richeval C, Gish A, Vodovar D, Labat L, Houzé P. Feature-Based Molecular Network for New Psychoactive Substance Identification: The Case of Synthetic Cannabinoids in a Seized e-Liquid and Biological Samples. J Am Soc Mass Spectrom. 2024 Aug 26. doi: 10.1021/jasms.4c00009. Epub ahead of print. PMID: 39186500.