CAS 99461-80-0

2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(trans-4-hydroxycyclohexyl)amino]methyl]phenyl]-, monohydrochloride

Description:

2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(trans-4-hydroxycyclohexyl)amino]methyl]phenyl]-, monohydrochloride, with CAS number 99461-80-0, is a chemical compound characterized by its complex structure, which includes a thiophene ring, a carboxamide functional group, and multiple bromine substituents on a phenyl ring. This compound features a hydroxycyclohexyl moiety, indicating the presence of a cyclohexane ring with a hydroxyl group, contributing to its potential biological activity. The monohydrochloride form suggests that it exists as a salt, which can enhance its solubility in aqueous solutions. The presence of bromine atoms typically indicates increased lipophilicity and may influence the compound's reactivity and interaction with biological targets. Such compounds are often studied for their potential pharmaceutical applications, particularly in the development of therapeutic agents. Overall, the unique combination of functional groups and substituents in this compound may confer specific properties that are of interest in medicinal chemistry and drug design.

Formula: C₁₈H₂₀Br₂N₂O₂S·ClH

InChI: InChI=1/C18H20Br2N2O2S.ClH/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16;/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24);1H/t13-,14-;

InChI key: InChIKey=ZVPWQPVEYLBIFG-SKKCDYJJNA-N

SMILES: N(C(=O)C1=CC=CS1)C2=C(CN[C@H]3CC[C@H](O)CC3)C=C(Br)C=C2Br.Cl

Synonyms:

• 2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(4-hydroxycyclohexyl)amino]methyl]phenyl]-, monohydrochloride, trans-
• 2-Thiophenecarboxamide, N-[2,4-dibromo-6-[[(trans-4-hydroxycyclohexyl)amino]methyl]phenyl]-, monohydrochloride
• PU 163

Neltenexine HCl

CAS: 99461-80-0

Neltenexine HCl is the salt form of Neltenexine free base, an elastase inhibitor that may be useful for preventing pulmonary emphysema.

Formula: C₁₈H₂₁Br₂ClN₂O₂S

Color and Shape: Solid

Molecular weight: 524.69

Ref: TM-T68178