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2-[[(2s)-2-Benzyl-3-[(3r,4r)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-Yl]Propanoyl]Amino]Acetic Acid,Dihydrate

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2-[[(2S)-2-Benzyl-3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-Yl]Propanoyl]Amino]Acetic Acid,Dihydrate / CAS : 170098-38-1

Appearance White solid UN 0
HS 2933399099 DG Class 0
Synonyms Alvimopan Dihydrate; 2-[[(2S)-2-Benzyl-3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-Dimethyl-1-Piperi dyl]Propanoyl]Amino]Acetic acid Dihydrate; (((2S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-yl)Methyl)-3-Phenylpropanoyl)Amino)Acetic acid Dihydrate; Glycine, N-((2S)-2-(((3R,4R)-4-(3-Hydroxyphenyl)-3,4-Dimethyl-1-Piperidinyl)Methyl)-1-oxo-3-Phenylpropyl)-, Dihydrate; Glycine, N-(2-((4-(3-Hydroxyphenyl)-3,4-Dimethyl-1-Piperidinyl)Methyl)-1-oxo-3-Phenylpropyl)-, Dihydrate, (3R-(1(S*),3Alpha,4Alpha))-; Glycine, N-(2-((4-(3-Hydroxyphenyl)-3,4-Dimethyl-1-Piperidinyl)Methyl)-1-oxo-3-Phenylpropyl)-,Dihydrate, (3R-(1(S*),3-Alpha,4-Alpha))-; (2S, 3R, 4R)[[2-[[4-(3-Hydroxyphenyl)-3,4-Dimethyl-1-Piperidinyl ]Methyl]-1-oxo-3-Phenylpropyl]-Amino]Acetic acid Dihydrate; 2-[(2S)-2-Benzyl-3-[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-yl]Propanamido]Acetic acid Dihydrate
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Properties

Summary

Formula
C25H36N2O6
Molecular Mass
460.56300
Exact Mass
460.25700
PSA
108.33000
Logp
3.25160
IUPAC
2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate
SMILES
C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
210-213ºC
Density
1.166g/cm3
Boiling Point
684.1ºC at 760mmHg
Flash Point
367.5ºC
Appearance
White solid

Export information

HS Code
2933399099
Export Rebate
13%
UN No.
0
DG-Class
0

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