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Details

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

SHOW SMILES / InChI
Structure of ISAMOLTAN

SMILES

CC(C)NCC(O)COC1=CC=CC=C1N2C=CC=C2

InChI

InChIKey=XVTVPGKWYHWYAD-UHFFFAOYSA-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

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ISAMOLTAN
INN   WHO-DD  
INN  
Official Name English
1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-2-PROPANOL
Common Name English
isamoltan [INN]
Common Name English
2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(1H-PYRROL-1-YL)PHENOXY)-
Systematic Name English
(±)-1-(ISOPROPYLAMINO)-3-(O-PYRROL-1-YLPHENOXY)-2-PROPANOL
Common Name English
Isamoltan [WHO-DD]
Common Name English
(±)-ISAMOLTANE
Common Name English
ISAMOLTANE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
Code System Code Type Description
CAS
116861-00-8
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
SUPERSEDED
FDA UNII
2TP37O5J17
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
SMS_ID
100000083359
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
NCI_THESAURUS
C65968
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
CAS
55050-95-8
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
INN
6208
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
PUBCHEM
127404
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL27077
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
EVMPD
SUB08304MIG
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID5045671
Created by admin on Fri Dec 15 16:26:24 UTC 2023 , Edited by admin on Fri Dec 15 16:26:24 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ISAMOLTAN
SALT/SOLVATE (PARENT)
Structure of ISAMOLTAN HYDROCHLORIDE
NIH
NCATS
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