CAS 104757-54-2
:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [S-(R*,S*)]-
Description:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, with CAS number 104757-54-2, is a complex organic compound characterized by its multi-functional groups and stereochemistry. This substance features a pyridine ring substituted with carboxylic acid groups and a nitrophenyl moiety, contributing to its potential reactivity and biological activity. The presence of a pyrrolidine ring indicates that it may exhibit properties typical of cyclic amines, such as basicity and potential interactions with biological targets. The hydrochloride form suggests enhanced solubility in aqueous environments, which is often advantageous for pharmacological applications. Additionally, the specific stereochemistry denoted by [S-(R*,S*)] implies that the compound may exhibit chirality, potentially influencing its interaction with biological systems. Overall, this compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development.
Formula:C27H29N3O6ClH
InChI:InChI=1S/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25+;/m0./s1
InChI key:InChIKey=XEMPUKIZUCIZEY-RKGTXJDOSA-N
SMILES:C(O[C@@H]1CN(CC2=CC=CC=C2)CC1)(=O)C=3[C@@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4.Cl
Synonyms:- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, [S-(R*,S*)]-
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