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Details

Stereochemistry RACEMIC
Molecular Formula C19H26NO3S.Br
Molecular Weight 428.384
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXITEFONIUM BROMIDE

SMILES

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

InChI

InChIKey=QTBFZNSOXHKZOD-UHFFFAOYSA-M
InChI=1S/C19H26NO3S.BrH/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;1H/q+1;/p-1

HIDE SMILES / InChI
Name Type Language
OXITEFONIUM BROMIDE
INN  
INN  
Official Name English
oxitefonium bromide [INN]
Common Name English
ETHANAMINIUM, N,N-DIETHYL-2-((2-HYDROXY-2-PHENYL-2-(2-THIENYL)ACETYL)OXY)-N-METHYL-, BROMIDE (1:1)
Systematic Name English
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE .ALPHA.-PHENYL-2-THIOPHENEGLYCOLATE
Systematic Name English
NIBITOR
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66880
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60938875
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
SMS_ID
100000083068
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
INN
2358
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111008
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-688-4
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
MESH
C001985
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
NCI_THESAURUS
C90698
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
CAS
17692-63-6
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
EVMPD
SUB09540MIG
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
PUBCHEM
71891
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY
FDA UNII
75L83V3XCF
Created by admin on Fri Dec 15 16:15:27 GMT 2023 , Edited by admin on Fri Dec 15 16:15:27 GMT 2023
PRIMARY