TRIPELENNAMINE DIMETHYAMMONIUM GLUCORONIDE

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

Structure Search

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


					3C5ORO99TY

TRIPELENNAMINE

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

URINE