CAS 1073057-20-1

2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, hydrochloride, hydrate (1:1:2), (1S,3S,5S)-

Description:

2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, hydrochloride, hydrate (1:1:2), (1S,3S,5S)- is a complex organic compound characterized by its bicyclic structure and the presence of multiple functional groups, including a carbonitrile and an amino acid derivative. The compound features a tricyclic moiety, which contributes to its unique three-dimensional conformation, potentially influencing its biological activity. The hydrochloride form indicates that it is a salt, which often enhances solubility in aqueous solutions, making it suitable for pharmaceutical applications. The hydrate designation suggests that the compound can associate with water molecules, which may affect its stability and solubility. This compound's stereochemistry, denoted by the (1S,3S,5S)- configuration, is crucial for its interaction with biological targets, as stereoisomers can exhibit significantly different pharmacological properties. Overall, this compound's structural complexity and functional diversity make it a subject of interest in medicinal chemistry and drug development.

Formula: C₁₈H₂₅N₃O₂·ClH·2H₂O

InChI: InChI=1S/C18H25N3O2.ClH.2H2O/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;;;/h10-15,23H,1-7,9,20H2;1H;2*1H2/t10?,11?,12-,13+,14+,15-,17?,18?;;;/m1.../s1

InChI key: InChIKey=AJXATZPZZXZZRE-ZEGDOHPJSA-N

SMILES: [C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(N)C34CC5(O)CC(C3)CC(C4)C5.Cl.O

Synonyms:

• 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, hydrochloride, hydrate (1:1:2), (1S,3S,5S)-

2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, hydrochloride, hydrate (1:1:2), (1S,3S,5S)-

CAS: 1073057-20-1

Formula: C₁₈H₃₀ClN₃O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 387.9015

Ref: IN-DA01QCBR

(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate

CAS: 1073057-20-1

(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile hydrochloride dihydrate

Purity: 98%

Molecular weight: 387.91g/mol

Ref: 54-OR1068556

Saxagliptin Hydrochloride Dihydrate

CAS: 1073057-20-1

Formula: C₁₈H₂₅N₃O₂HCl(H₂O)

Molecular weight: 315.4 : 36.5 : 2(18.0)

Ref: ST-EA-CP-S19001