CAS 476334-33-5
:4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-phenylethyl)-, hydrochloride (1:1), (αR,3aS,4S,6S,7aR)-
Description:
4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-phenylethyl)-, hydrochloride (1:1), with CAS number 476334-33-5, is a complex organic compound characterized by its unique bicyclic structure that incorporates a boron atom within a dioxaborole framework. This compound features multiple stereocenters, contributing to its chiral nature, which can influence its biological activity and interactions. The presence of the methanamine group suggests potential for hydrogen bonding and reactivity, while the hexahydro and trimethyl groups may impart steric hindrance and influence solubility. The hydrochloride salt form indicates that it is likely a stable, water-soluble compound, which is advantageous for pharmaceutical applications. Its structural complexity and specific functional groups suggest potential utility in medicinal chemistry, particularly in the development of therapeutics targeting various biological pathways. However, detailed studies on its pharmacokinetics, toxicity, and specific applications would be necessary to fully understand its characteristics and potential uses.
Formula:C19H28BNO2·ClH
InChI:InChI=1S/C19H28BNO2.ClH/c1-18(2)14-11-15(18)19(3)16(12-14)22-20(23-19)17(21)10-9-13-7-5-4-6-8-13;/h4-8,14-17H,9-12,21H2,1-3H3;1H/t14-,15-,16+,17-,19-;/m0./s1
InChI key:InChIKey=LDOJDRFKDPCKPS-KTZYUNSISA-N
SMILES:C[C@]12[C@@]3(C(C)(C)[C@@](C3)(C[C@]1(OB([C@H](CCC4=CC=CC=C4)N)O2)[H])[H])[H].Cl
Synonyms:- 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,8,8-trimethyl-α-(2-phenylethyl)-, hydrochloride (1:1), (αR,3aS,4S,6S,7aR)-
- 4,6-Methano-1,3,2-benzodioxaborole-2-methanamine, hexahydro-3a,5,5-trimethyl-α-(2-phenylethyl)-, hydrochloride, (αR,3aS,4S,6S,7aR)-
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