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alvimopan

Properties

Image

Occurences in reactions

MNX_ID

MNXM119079

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₅H₃₂N₂O₄

charge

mass

424.23621

reference

chebi:135686

InChIKey

UPNUIXSCZBYVBB-JVFUWBCBSA-N

InChI

InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1

SMILES

C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135686 chebi:135686	alvimopan LY-246736 LY246736 alvimopan anhydrous alvimopan dihydrate entereg
hmdb:HMDB0015631	Alvimopan 2-[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamido]acetic acid ADL 8-2698 ADL 8-2698Entereg Alvimopan anhydrous Anhydrous alvimopan Entereg alvimopan trans-3,4-Dimethyl-4-(3-hydroxyphenyl) piperidine
hmdb:HMDB15631	secondary/obsolete/fantasy identifier