U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O7
Molecular Weight 433.4558
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 6-((2-(METHYLAMINO)ETHYL)(PHENYLMETHYL)AMINO)-3-PYRIDINYL

SMILES

CNCCN(Cc1ccccc1)c2ccc(cn2)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O

InChI

InChIKey=ZJAKLQWJIPNLBO-ZFORQUDYSA-N
InChI=1S/C21H27N3O7/c1-22-9-10-24(12-13-5-3-2-4-6-13)15-8-7-14(11-23-15)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h2-8,11,16-19,21-22,25-27H,9-10,12H2,1H3,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27N3O7
Molecular Weight 433.4558
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 Fri Jun 25 22:48:22 UTC 2021
Edited
by admin
on Fri Jun 25 22:48:22 UTC 2021
Record UNII
V3ESI83A3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 6-((2-(METHYLAMINO)ETHYL)(PHENYLMETHYL)AMINO)-3-PYRIDINYL
Common Name English
TRIPELENNAMINE METABOLITE M4
Common Name English
Code System Code Type Description
FDA UNII
V3ESI83A3A
Created by admin on Fri Jun 25 22:48:22 UTC 2021 , Edited by admin on Fri Jun 25 22:48:22 UTC 2021
PRIMARY
CAS
60317-22-8
Created by admin on Fri Jun 25 22:48:22 UTC 2021 , Edited by admin on Fri Jun 25 22:48:22 UTC 2021
PRIMARY
PUBCHEM
154731573
Created by admin on Fri Jun 25 22:48:22 UTC 2021 , Edited by admin on Fri Jun 25 22:48:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE