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Details

Stereochemistry RACEMIC
Molecular Formula C20H28N2O9
Molecular Weight 440.4451
Optical Activity ( + / - )
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXYPINDOLOL GLUCURONIDE

SMILES

CC(C)NCC([H])(COc1cc(cc2c1cc[nH]2)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O)O

InChI

InChIKey=AXGKOHSUNOJJSK-TYAQDGCWSA-N
InChI=1S/C20H28N2O9/c1-9(2)22-7-10(23)8-29-14-6-11(5-13-12(14)3-4-21-13)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h3-6,9-10,15-18,20-26H,7-8H2,1-2H3,(H,27,28)/t10?,15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28N2O9
Molecular Weight 440.4451
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:02:05 UTC 2021
Edited
by admin
on Sat Jun 26 16:02:05 UTC 2021
Record UNII
GU5K7WZ58E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXYPINDOLOL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-1H-INDOL-6-YL
Systematic Name English
Code System Code Type Description
FDA UNII
GU5K7WZ58E
Created by admin on Sat Jun 26 16:02:05 UTC 2021 , Edited by admin on Sat Jun 26 16:02:05 UTC 2021
PRIMARY
CAS
58670-78-3
Created by admin on Sat Jun 26 16:02:05 UTC 2021 , Edited by admin on Sat Jun 26 16:02:05 UTC 2021
PRIMARY
PUBCHEM
91810525
Created by admin on Sat Jun 26 16:02:05 UTC 2021 , Edited by admin on Sat Jun 26 16:02:05 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
SHOULD BE MINOR AND LISTED AS A POSSIBLE METABOLITE
MINOR