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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O7
Molecular Weight 433.455
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(CC1=CC=CC=C1)C2=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=N2

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 433.455
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 Dec 16 15:07:34 UTC 2023
Edited
by admin
on Sat Dec 16 15:07:34 UTC 2023
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
CAS
60317-22-8
Created by admin on Sat Dec 16 15:07:34 UTC 2023 , Edited by admin on Sat Dec 16 15:07:34 UTC 2023
PRIMARY
FDA UNII
V3ESI83A3A
Created by admin on Sat Dec 16 15:07:34 UTC 2023 , Edited by admin on Sat Dec 16 15:07:34 UTC 2023
PRIMARY
PUBCHEM
154731573
Created by admin on Sat Dec 16 15:07:34 UTC 2023 , Edited by admin on Sat Dec 16 15:07:34 UTC 2023
PRIMARY
Related Record Type Details
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