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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17N3O7
Molecular Weight 387.3435
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MILRINONE O-GLUCURONIDE

SMILES

CC1=C(C=C(C#N)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=N1)C3=CC=NC=C3

InChI

InChIKey=GHJUURNRRGKYNV-GLRLOKQVSA-N
InChI=1S/C18H17N3O7/c1-8-11(9-2-4-20-5-3-9)6-10(7-19)16(21-8)28-18-14(24)12(22)13(23)15(27-18)17(25)26/h2-6,12-15,18,22-24H,1H3,(H,25,26)/t12-,13-,14+,15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H17N3O7
Molecular Weight 387.3435
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:37:31 UTC 2023
Edited
by admin
on Sat Dec 16 09:37:31 UTC 2023
Record UNII
6G5D63NZ32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MILRINONE O-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-((5-CYANO-2-METHYL-(3,4'-BIPYRIDIN)-6-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
6G5D63NZ32
Created by admin on Sat Dec 16 09:37:32 UTC 2023 , Edited by admin on Sat Dec 16 09:37:32 UTC 2023
PRIMARY
PUBCHEM
156613834
Created by admin on Sat Dec 16 09:37:32 UTC 2023 , Edited by admin on Sat Dec 16 09:37:32 UTC 2023
PRIMARY
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