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Details

Stereochemistry RACEMIC
Molecular Formula C15H22N2O2.CH4O3S
Molecular Weight 358.453
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABELOTINE MESYLATE

SMILES

CS(O)(=O)=O.CN1CCCC2=C1C(OCC3CNCCO3)=CC=C2

InChI

InChIKey=RSEKRLGWBUABQM-UHFFFAOYSA-N
InChI=1S/C15H22N2O2.CH4O3S/c1-17-8-3-5-12-4-2-6-14(15(12)17)19-11-13-10-16-7-9-18-13;1-5(2,3)4/h2,4,6,13,16H,3,5,7-11H2,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C15H22N2O2
Molecular Weight 262.3474
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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 Sat Dec 16 11:18:36 UTC 2023
Edited
by admin
on Sat Dec 16 11:18:36 UTC 2023
Record UNII
03045W04DP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABELOTINE MESYLATE
Common Name English
QUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-8-(2-MORPHOLINYLMETHOXY)-, METHANESULFONATE (1:1)
Systematic Name English
S-12024-2
Code English
Code System Code Type Description
FDA UNII
03045W04DP
Created by admin on Sat Dec 16 11:18:36 UTC 2023 , Edited by admin on Sat Dec 16 11:18:36 UTC 2023
PRIMARY
CAS
153049-48-0
Created by admin on Sat Dec 16 11:18:36 UTC 2023 , Edited by admin on Sat Dec 16 11:18:36 UTC 2023
PRIMARY
PUBCHEM
177948
Created by admin on Sat Dec 16 11:18:36 UTC 2023 , Edited by admin on Sat Dec 16 11:18:36 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY