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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N3O7
Molecular Weight 447.4824
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KSLFKNSDODEMQK-SXFAUFNYSA-N
InChI=1S/C22H29N3O7/c1-24(2)10-11-25(13-14-6-4-3-5-7-14)16-9-8-15(12-23-16)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h3-9,12,17-20,22,26-28H,10-11,13H2,1-2H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29N3O7
Molecular Weight 447.4824
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 09:24:28 UTC 2021
Edited
by admin
on Sat Jun 26 09:24:28 UTC 2021
Record UNII
Q0R0DTY3NB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 6-((2-(DIMETHYLAMINO)ETHYL)(PHENYLMETHYL)AMINO)-3-PYRIDINYL
Common Name English
TRIPELENNAMINE METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
154731590
Created by admin on Sat Jun 26 09:24:28 UTC 2021 , Edited by admin on Sat Jun 26 09:24:28 UTC 2021
PRIMARY
CAS
60317-21-7
Created by admin on Sat Jun 26 09:24:28 UTC 2021 , Edited by admin on Sat Jun 26 09:24:28 UTC 2021
PRIMARY
FDA UNII
Q0R0DTY3NB
Created by admin on Sat Jun 26 09:24:28 UTC 2021 , Edited by admin on Sat Jun 26 09:24:28 UTC 2021
PRIMARY
Related Record Type Details
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