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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N2O2
Molecular Weight 274.3581
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)NC[C@H](O)COC1=CC=CC=C1N2C=CC=C2

InChI

InChIKey=XVTVPGKWYHWYAD-AWEZNQCLSA-N
InChI=1S/C16H22N2O2/c1-13(2)17-11-14(19)12-20-16-8-4-3-7-15(16)18-9-5-6-10-18/h3-10,13-14,17,19H,11-12H2,1-2H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H22N2O2
Molecular Weight 274.3581
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 16:32:15 GMT 2023
Edited
by admin
on Sat Dec 16 16:32:15 GMT 2023
Record UNII
367U86BDQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISAMOLTAN, (S)-
Common Name English
2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-, (-)-
Common Name English
(-)-ISAMOLTANE
Common Name English
(2S)-1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-2-PROPANOL
Common Name English
ISAMOLTAN, (-)-
Common Name English
2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
367U86BDQ2
Created by admin on Sat Dec 16 16:32:16 GMT 2023 , Edited by admin on Sat Dec 16 16:32:16 GMT 2023
PRIMARY
PUBCHEM
76968413
Created by admin on Sat Dec 16 16:32:16 GMT 2023 , Edited by admin on Sat Dec 16 16:32:16 GMT 2023
PRIMARY PUBCHEM
CAS
116861-02-0
Created by admin on Sat Dec 16 16:32:16 GMT 2023 , Edited by admin on Sat Dec 16 16:32:16 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER