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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N3O7
Molecular Weight 495.5244
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6R)-6-(3-(4-AMINO-4-OXO-3,3-DIPHENYL-BUTYL)-2-METHYL-IMIDAZOL-1-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CC1=[N+](C=CN1CCC(C(N)=O)(C2=CC=CC=C2)C3=CC=CC=C3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O

InChI

InChIKey=KKXHATUMBMTACT-USWKJHDZSA-N
InChI=1S/C26H29N3O7/c1-16-28(14-15-29(16)23-21(32)19(30)20(31)22(36-23)24(33)34)13-12-26(25(27)35,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19-23,30-32H,12-13H2,1H3,(H2-,27,33,34,35)/t19-,20-,21+,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H30N3O7
Molecular Weight 496.5323
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 Thu Jul 06 20:57:16 UTC 2023
Edited
by admin
on Thu Jul 06 20:57:16 UTC 2023
Record UNII
JU1TO3T42X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6R)-6-(3-(4-AMINO-4-OXO-3,3-DIPHENYL-BUTYL)-2-METHYL-IMIDAZOL-1-YL)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
IMIDAFENACIN METABOLITE M9
Common Name English
Code System Code Type Description
FDA UNII
JU1TO3T42X
Created by admin on Thu Jul 06 20:57:16 UTC 2023 , Edited by admin on Thu Jul 06 20:57:16 UTC 2023
PRIMARY
PUBCHEM
17753061
Created by admin on Thu Jul 06 20:57:16 UTC 2023 , Edited by admin on Thu Jul 06 20:57:16 UTC 2023
PRIMARY
Related Record Type Details
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