U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22N2O2.CH4O3S
Molecular Weight 358.453
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABELOTINE MESYLATE, (R)-

SMILES

CS(O)(=O)=O.CN1CCCC2=C1C(OC[C@H]3CNCCO3)=CC=C2

InChI

InChIKey=RSEKRLGWBUABQM-BTQNPOSSSA-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)/t13-;/m1./s1

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 C15H22N2O2
Molecular Weight 262.3474
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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
C4PY3K6A28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABELOTINE MESYLATE, (R)-
Common Name English
(-)-(R)-S-12024
Code English
DABELOTINE MESILATE, (R)-
Common Name English
QUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-8-((2S)-2-MORPHOLINYLMETHOXY)-, MONOMETHANESULFONATE, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
C4PY3K6A28
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
91827145
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