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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=CC=C2NC=C(CCCCN3CCC(=CC3)C4=CC=CC=C4)C2=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 CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:01:51 GMT 2025
Edited
by admin
on Mon Mar 31 18:01:51 GMT 2025
Record UNII
WCW8374DTW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXINDOLE MESYLATE
Common Name English
EMD-49980
Preferred 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
Code System Code Type Description
FDA UNII
WCW8374DTW
Created by admin on Mon Mar 31 18:01:51 GMT 2025 , Edited by admin on Mon Mar 31 18:01:51 GMT 2025
PRIMARY
MERCK INDEX
m9678
Created by admin on Mon Mar 31 18:01:51 GMT 2025 , Edited by admin on Mon Mar 31 18:01:51 GMT 2025
PRIMARY Merck Index
PUBCHEM
3035894
Created by admin on Mon Mar 31 18:01:51 GMT 2025 , Edited by admin on Mon Mar 31 18:01:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID40152572
Created by admin on Mon Mar 31 18:01:51 GMT 2025 , Edited by admin on Mon Mar 31 18:01:51 GMT 2025
PRIMARY
CAS
119742-13-1
Created by admin on Mon Mar 31 18:01:51 GMT 2025 , Edited by admin on Mon Mar 31 18:01:51 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE