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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22N2O2
Molecular Weight 262.3474
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DABELOTINE, (S)-

SMILES

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

InChI

InChIKey=VXQWMLATWQSCBE-ZDUSSCGKSA-N
InChI=1S/C15H22N2O2/c1-17-8-3-5-12-4-2-6-14(15(12)17)19-11-13-10-16-7-9-18-13/h2,4,6,13,16H,3,5,7-11H2,1H3/t13-/m0/s1

HIDE SMILES / InChI

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 10:11:51 GMT 2023
Edited
by admin
on Sat Dec 16 10:11:51 GMT 2023
Record UNII
494Y55877B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DABELOTINE, (S)-
Common Name English
QUINOLINE, 1,2,3,4-TETRAHYDRO-1-METHYL-8-((2S)-2-MORPHOLINYLMETHOXY)-, (S)-
Common Name English
Code System Code Type Description
FDA UNII
494Y55877B
Created by admin on Sat Dec 16 10:11:51 GMT 2023 , Edited by admin on Sat Dec 16 10:11:51 GMT 2023
PRIMARY
CAS
152985-35-8
Created by admin on Sat Dec 16 10:11:51 GMT 2023 , Edited by admin on Sat Dec 16 10:11:51 GMT 2023
PRIMARY
PUBCHEM
132959
Created by admin on Sat Dec 16 10:11:51 GMT 2023 , Edited by admin on Sat Dec 16 10:11:51 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER