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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29NO8
Molecular Weight 447.4783
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)PHENYL)METHYL

SMILES

CNCC[C@@H](OC1=C(CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC=C1)C3=CC=CC=C3

InChI

InChIKey=JTFZJNBQBJLYRG-AJYYVVFWSA-N
InChI=1S/C23H29NO8/c1-24-12-11-17(14-7-3-2-4-8-14)31-16-10-6-5-9-15(16)13-30-23-20(27)18(25)19(26)21(32-23)22(28)29/h2-10,17-21,23-27H,11-13H2,1H3,(H,28,29)/t17-,18+,19+,20-,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29NO8
Molecular Weight 447.4783
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:42:45 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:45 GMT 2023
Record UNII
LBN4WV577X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2-((1R)-3-(METHYLAMINO)-1-PHENYLPROPOXY)PHENYL)METHYL
Systematic Name English
2-HYDROXYMETHYLATOMOXETINE-O-GLUCURONIDE
Common Name English
Code System Code Type Description
PUBCHEM
156596482
Created by admin on Sat Dec 16 15:42:45 GMT 2023 , Edited by admin on Sat Dec 16 15:42:45 GMT 2023
PRIMARY
FDA UNII
LBN4WV577X
Created by admin on Sat Dec 16 15:42:45 GMT 2023 , Edited by admin on Sat Dec 16 15:42:45 GMT 2023
PRIMARY
CAS
578727-56-7
Created by admin on Sat Dec 16 15:42:45 GMT 2023 , Edited by admin on Sat Dec 16 15:42:45 GMT 2023
PRIMARY
Related Record Type Details
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