WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 577941
CAS#: 122956-67-6
Description: Nafagrel hydrochloride hemihydrate is a thromboxane A2 synthetase inhibitor.
MedKoo Cat#: 577941
Name: Nafagrel hydrochloride hemihydrate
CAS#: 122956-67-6
Chemical Formula: C30H36Cl2N4O5
Exact Mass: 602.2063
Molecular Weight: 603.54
Elemental Analysis: C, 59.70; H, 6.01; Cl, 11.75; N, 9.28; O, 13.25
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
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Synonym: Nafagrel hydrochloride hemihydrate; Nafagrel HCl hemihydrate
IUPAC/Chemical Name: 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-, monohydrochloride, hydrate (2:1)
InChi Key: HPUSTZZITOBRFQ-UHFFFAOYSA-N
InChi Code: InChI=1S/2C15H16N2O2.2ClH.H2O/c2*18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17;;;/h2*3-6,8,10-11H,1-2,7,9H2,(H,18,19);2*1H;1H2
SMILES Code: O.Cl.Cl.OC(=O)c1ccc2CC(Cn3ccnc3)CCc2c1.OC(=O)c4ccc5CC(Cn6ccnc6)CCc5c4
Appearance: Solid powder
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
The following data is based on the product molecular weight 603.54 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.
| 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 |
1. Bernat A, Mares AM, Defreyn G, Maffrand JP, Herbert JM. Effect of various antiplatelet agents on acute arterial thrombosis in the rat. Thromb Haemost. 1993 Nov 15;70(5):812-6. PMID: 8128439.
