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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N3O6
Molecular Weight 431.4822
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(CC1=CC=CC=C1)C2=CC=CC=N2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([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 431.4822
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 20:41:21 UTC 2023
Edited
by admin
on Thu Jul 06 20:41:21 UTC 2023
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 Thu Jul 06 20:41:21 UTC 2023 , Edited by admin on Thu Jul 06 20:41:21 UTC 2023
PRIMARY
CAS
60507-62-2
Created by admin on Thu Jul 06 20:41:21 UTC 2023 , Edited by admin on Thu Jul 06 20:41:21 UTC 2023
PRIMARY
FDA UNII
H85E0ERU4B
Created by admin on Thu Jul 06 20:41:21 UTC 2023 , Edited by admin on Thu Jul 06 20:41:21 UTC 2023
PRIMARY
Related Record Type Details
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