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Details

Stereochemistry ACHIRAL
Molecular Formula C23H26N2O.CH4O3S
Molecular Weight 442.571
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROXINDOLE MESYLATE

SMILES

CS(O)(=O)=O.OC1=CC2=C(NC=C2CCCCN3CCC(=CC3)C4=CC=CC=C4)C=C1

InChI

InChIKey=ACXQCFGTCOWPAQ-UHFFFAOYSA-N
InChI=1S/C23H26N2O.CH4O3S/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18;1-5(2,3)4/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C23H26N2O
Molecular Weight 346.4653
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:34:53 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:53 UTC 2023
Record UNII
WCW8374DTW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXINDOLE MESYLATE
Common Name English
ROXINDOLE METHANESULFONATE [MI]
Common Name English
1H-INDOL-5-OL, 3-(4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)BUTYL)-, METHANESULFONATE (1:1)
Systematic Name English
1H-INDOL-5-OL, 3-(4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDINYL)BUTYL)-, MONOMETHANESULFONATE (SALT)
Common Name English
ROXINDOLE METHANESULFONATE SALT
Common Name English
ROXINDOLE MESILATE
Common Name English
EMD-49980
Code English
Code System Code Type Description
FDA UNII
WCW8374DTW
Created by admin on Fri Dec 15 15:34:53 UTC 2023 , Edited by admin on Fri Dec 15 15:34:53 UTC 2023
PRIMARY
MERCK INDEX
m9678
Created by admin on Fri Dec 15 15:34:53 UTC 2023 , Edited by admin on Fri Dec 15 15:34:53 UTC 2023
PRIMARY Merck Index
PUBCHEM
3035894
Created by admin on Fri Dec 15 15:34:53 UTC 2023 , Edited by admin on Fri Dec 15 15:34:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID40152572
Created by admin on Fri Dec 15 15:34:53 UTC 2023 , Edited by admin on Fri Dec 15 15:34:53 UTC 2023
PRIMARY
CAS
119742-13-1
Created by admin on Fri Dec 15 15:34:53 UTC 2023 , Edited by admin on Fri Dec 15 15:34:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE