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Details

Stereochemistry RACEMIC
Molecular Formula C24H31NO3.ClH
Molecular Weight 417.969
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLUDESVENLAFAXINE HYDROCHLORIDE ANHYDROUS

SMILES

Cl.CN(C)CC(C1=CC=C(OC(=O)C2=CC=C(C)C=C2)C=C1)C3(O)CCCCC3

InChI

InChIKey=BVWFJKQJRNSYCR-UHFFFAOYSA-N
InChI=1S/C24H31NO3.ClH/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24;/h7-14,22,27H,4-6,15-17H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C24H31NO3
Molecular Weight 381.5078
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
V6Z6K3OQX4
Record Status Validated (UNII)
Record Version