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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N3O6
Molecular Weight 431.483
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIPELENNAMINE DIMETHYAMMONIUM GLUCORONIDE

SMILES

C[N+](C)(CCN(Cc1ccccc1)c2ccccn2)[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)[O-])O3)O)O)O

InChI

InChIKey=PAYFYCLCAWTSBX-JRSUCEMESA-N
InChI=1S/C22H29N3O6/c1-25(2,21-19(28)17(26)18(27)20(31-21)22(29)30)13-12-24(16-10-6-7-11-23-16)14-15-8-4-3-5-9-15/h3-11,17-21,26-28H,12-14H2,1-2H3/t17-,18-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29N3O6
Molecular Weight 431.483
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 Jun 26 06:07:48 UTC 2021
Edited
by admin
on Sat Jun 26 06:07:48 UTC 2021
Record UNII
H85E0ERU4B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIPELENNAMINE DIMETHYAMMONIUM GLUCORONIDE
Common Name English
ETHANAMINIUM, N-.BETA.-D-GLUCOPYRANURONOSYL-N,N-DIMETHYL-2-((PHENYLMETHYL)-2-PYRIDINYLAMINO)-, INNER SALT
Common Name English
TRIPELENNAMINE METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
146048035
Created by admin on Sat Jun 26 06:07:48 UTC 2021 , Edited by admin on Sat Jun 26 06:07:48 UTC 2021
PRIMARY
CAS
60507-62-2
Created by admin on Sat Jun 26 06:07:48 UTC 2021 , Edited by admin on Sat Jun 26 06:07:48 UTC 2021
PRIMARY
FDA UNII
H85E0ERU4B
Created by admin on Sat Jun 26 06:07:48 UTC 2021 , Edited by admin on Sat Jun 26 06:07:48 UTC 2021
PRIMARY
Related Record Type Details
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