CAS 359875-09-5

(2S,3S)-N-(5-tert-butyl-2-methoxybenzyl)-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxypropane-1,2,3-tricarboxylate hydrate (1:1:1)

Description:

The chemical substance known as "(2S,3S)-N-(5-tert-butyl-2-methoxybenzyl)-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxypropane-1,2,3-tricarboxylate hydrate (1:1:1)" with CAS number 359875-09-5 is a complex organic compound characterized by its bicyclic structure and multiple functional groups. It features a bicyclo[2.2.2]octane core, which is a saturated bicyclic system known for its rigidity and unique three-dimensional shape. The presence of an amine group indicates potential basicity and reactivity, while the tert-butyl and methoxy substituents contribute to its lipophilicity and steric bulk. The tricarboxylate component suggests the presence of multiple carboxylic acid functionalities, which can participate in hydrogen bonding and ionic interactions, enhancing solubility in polar solvents. The hydrate form indicates that the compound can associate with water molecules, which may influence its stability and solubility. Overall, this compound's structural complexity and functional diversity suggest potential applications in medicinal chemistry, particularly in drug design and development.

Formula: C₃₈H₅₀N₂O₉

InChI: InChI=1/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1

SMILES: CC(C)(C)c1ccc(c(c1)CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

Synonyms:

• Maropitant

Maropitant Citrate

CAS: 359875-09-5

Formula: C₃₈H₅₀N₂O₉

Purity: 99%

Color and Shape: Solid

Molecular weight: 678.8116

Ref: IN-DA01KDQE

Maropitant citrate

CAS: 359875-09-5

Maropitant citrate

Purity: ≥98%

Molecular weight: 678.81g/mol

Ref: 54-BUP18859

Maropitant citrate

CAS: 359875-09-5

Maropitant citrate is a synthetic neurokinin-1 receptor antagonist and substance P inhibitor, used for controlling vomiting in cats and dogs.

Formula: C₃₈H₅₀N₂O₉

Purity: 98.91%

Color and Shape: Solid

Molecular weight: 678.81

Ref: TM-T35344