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Details

Stereochemistry RACEMIC
Molecular Formula C26H36N2O4
Molecular Weight 440.575
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-517

SMILES

COC1=CC=C(CCN(C)CCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC

InChI

InChIKey=AREHFLBSUIDYNI-UHFFFAOYSA-N
InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-5)25(17-21)32-7)13-15-28(3)14-12-20-8-10-22(29-4)24(16-20)31-6/h8-11,16-17,19H,12-15H2,1-7H3

HIDE SMILES / InChI

Molecular Formula C26H36N2O4
Molecular Weight 440.575
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:47:21 UTC 2023
Edited
by admin
on Sat Dec 16 10:47:21 UTC 2023
Record UNII
LMA14SN2Y1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-517
Common Name English
BENZENEACETONITRILE, .ALPHA.-(2-((2-(3,4-DIMETHOXYPHENYL)ETHYL)METHYLAMINO)ETHYL)-3,4-DIMETHOXY-.ALPHA.-(1-METHYLETHYL)-
Systematic Name English
(2RS)-2-(3,4-DIMETHOXYPHENYL)-2-(2-((2-(3,4-DIMETHOXY-PHENYL)ETHYL)(METHYL)AMINO)ETHYL)-3-METHYLBUTANENITRILE
Systematic Name English
VENLAFAXINE RELATED COMPOUND B FREE BASE
Common Name English
VERAPAMIL HYDROCHLORIDE IMPURITY I [EP IMPURITY]
Common Name English
D-517, (RS)-
Code English
Code System Code Type Description
PUBCHEM
71315156
Created by admin on Sat Dec 16 10:47:21 UTC 2023 , Edited by admin on Sat Dec 16 10:47:21 UTC 2023
PRIMARY
CAS
2893-91-6
Created by admin on Sat Dec 16 10:47:21 UTC 2023 , Edited by admin on Sat Dec 16 10:47:21 UTC 2023
PRIMARY
FDA UNII
LMA14SN2Y1
Created by admin on Sat Dec 16 10:47:21 UTC 2023 , Edited by admin on Sat Dec 16 10:47:21 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP