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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H35N5O9
Molecular Weight 633.6484
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(4-(4-(2-(AMINOCARBONYL)-2,3-DIHYDRO-5-BENZOFURANYL)-1-PIPERAZINYL)BUTYL)-5-CYANO-2,3-DIHYDRO-1H-INDOL-6-YL

SMILES

NC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CCCCC4=CNC5=C4C=C(C#N)C(O[C@H]6O[C@H]([C@H](O)[C@@H](O)[C@@H]6O)C(O)=O)=C5)CC3

InChI

InChIKey=DXUXGQNLHNJQPD-IOTTWRDDSA-N
InChI=1S/C32H35N5O9/c33-15-19-12-21-17(16-35-22(21)14-24(19)45-32-28(40)26(38)27(39)29(46-32)31(42)43)3-1-2-6-36-7-9-37(10-8-36)20-4-5-23-18(11-20)13-25(44-23)30(34)41/h4-5,11-14,16,26-29,32,35,38-40H,1-3,6-10H2,(H2,34,41)(H,42,43)/t26-,27-,28+,29-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H35N5O9
Molecular Weight 633.6484
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 14:47:59 GMT 2023
Edited
by admin
on Sat Dec 16 14:47:59 GMT 2023
Record UNII
GQ8438GYV2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-(4-(4-(2-(AMINOCARBONYL)-2,3-DIHYDRO-5-BENZOFURANYL)-1-PIPERAZINYL)BUTYL)-5-CYANO-2,3-DIHYDRO-1H-INDOL-6-YL
Systematic Name English
VILAZODONE METABOLITE M4
Common Name English
Code System Code Type Description
FDA UNII
GQ8438GYV2
Created by admin on Sat Dec 16 14:47:59 GMT 2023 , Edited by admin on Sat Dec 16 14:47:59 GMT 2023
PRIMARY
PUBCHEM
156596404
Created by admin on Sat Dec 16 14:47:59 GMT 2023 , Edited by admin on Sat Dec 16 14:47:59 GMT 2023
PRIMARY
CAS
364064-15-3
Created by admin on Sat Dec 16 14:47:59 GMT 2023 , Edited by admin on Sat Dec 16 14:47:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE