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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H37NO9
Molecular Weight 543.6054
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(O)=O)CC[C@@]1(C)C3=CC=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=GTTQMFRQAOMRCA-WVNIWRFFSA-N
InChI=1S/C29H37NO9/c1-17-15-30(16-19(26(34)35)13-18-7-4-3-5-8-18)12-11-29(17,2)20-9-6-10-21(14-20)38-28-24(33)22(31)23(32)25(39-28)27(36)37/h3-10,14,17,19,22-25,28,31-33H,11-13,15-16H2,1-2H3,(H,34,35)(H,36,37)/t17-,19-,22-,23-,24+,25-,28+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H37NO9
Molecular Weight 543.6054
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:46:55 UTC 2023
Edited
by admin
on Thu Jul 06 20:46:55 UTC 2023
Record UNII
HR9UD9UJ3D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-6-(3-((3R,4R)-1-((2S)-2-BENZYL-3-HYDROXY-3-OXO-PROPYL)-3,4-DIMETHYL-4-PIPERIDYL)PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
GLUCURONIDE OF ALVIMOPAN METABOLITE H3
Common Name English
ALVIMOPAN METABOLITE H7
Common Name English
Code System Code Type Description
PUBCHEM
156613593
Created by admin on Thu Jul 06 20:46:55 UTC 2023 , Edited by admin on Thu Jul 06 20:46:55 UTC 2023
PRIMARY
FDA UNII
HR9UD9UJ3D
Created by admin on Thu Jul 06 20:46:55 UTC 2023 , Edited by admin on Thu Jul 06 20:46:55 UTC 2023
PRIMARY
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