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

Details

Stereochemistry RACEMIC
Molecular Formula C19H26NO3S
Molecular Weight 348.48
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of OXITEFONIUM

SMILES

CC[N+](C)(CC)CCOC(=O)C(O)(C1=CC=CS1)C2=CC=CC=C2

InChI

InChIKey=RJXJTISGMQDIAQ-UHFFFAOYSA-N
InChI=1S/C19H26NO3S/c1-4-20(3,5-2)13-14-23-18(21)19(22,17-12-9-15-24-17)16-10-7-6-8-11-16/h6-12,15,22H,4-5,13-14H2,1-3H3/q+1

HIDE SMILES / InChI
Name Type Language
OXITEFONIUM
Common Name English
OXITEFONIUM CATION
Common Name English
ETHANAMINIUM, N,N-DIETHYL-2-((2-HYDROXY-2-PHENYL-2-(2-THIENYL)ACETYL)OXY)-N-METHYL-
Systematic Name English
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM .ALPHA.-PHENYL-2-THIOPHENEGLYCOLATE
Systematic Name English
OXITEFONIUM ION
Common Name English
Code System Code Type Description
PUBCHEM
71892
Created by admin on Fri Dec 15 15:28:45 UTC 2023 , Edited by admin on Fri Dec 15 15:28:45 UTC 2023
PRIMARY
CAS
17989-37-6
Created by admin on Fri Dec 15 15:28:45 UTC 2023 , Edited by admin on Fri Dec 15 15:28:45 UTC 2023
PRIMARY
FDA UNII
7QZW6V0L1F
Created by admin on Fri Dec 15 15:28:45 UTC 2023 , Edited by admin on Fri Dec 15 15:28:45 UTC 2023
PRIMARY
MESH
C001985
Created by admin on Fri Dec 15 15:28:45 UTC 2023 , Edited by admin on Fri Dec 15 15:28:45 UTC 2023
PRIMARY