CAS 1041389-28-9: (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide

Description: The chemical substance with the name "(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide" and CAS number "1041389-28-9" is a complex organic compound characterized by its multi-ring structure and various functional groups. It features an isoquinoline core, which is a bicyclic structure known for its presence in many biologically active compounds. The presence of a decahydro moiety indicates a saturated hydrocarbon framework, while the inclusion of hydroxyl (-OH) and amide (-CONH-) groups suggests potential for hydrogen bonding and solubility in polar solvents. The compound also contains a phenylsulfinyl group, which may contribute to its reactivity and biological activity. Its stereochemistry, indicated by the specific configurations at various chiral centers, is crucial for its interaction with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its intricate structure and functional diversity.

Formula: C₃₂H₄₅N₃O₅S

InChI: InChI=1S/C32H45N3O5S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-41(40)24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+,41?/m0/s1

InChI key: InChIKey=RSOLVRGGAAUFHC-VSAYVLMCSA-N

SMILES: O=C(NC(CS(=O)C=1C=CC=CC1)C(O)CN2CC3CCCCC3CC2C(=O)NC(C)(C)C)C=4C=CC=C(O)C4C

Synonyms:

• 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-, (3S,4aS,8aS)-
• (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfinyl)butyl]-3-isoquinolinecarboxamide

Nelfinavir Impurity 2

CAS: 1041389-28-9

• Formula: C₃₂H₄₅N₃O₅S
• Molecular weight: 583.80

Nelfinavir Sulfoxide

CAS: 1041389-28-9

Impurity Nelfinavir USP Related Compound A Applications Nelfinavir Sulfoxide is an impurity of Nelfinavir Mesylate …

• Formula: C₃₂H₄₅N₃O₅S
• Color and Shape: Neat
• Molecular weight: 583.78