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Details

Stereochemistry RACEMIC
Molecular Formula C18H30NO3S.Br
Molecular Weight 420.405
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTHIENATE BROMIDE

SMILES

[Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)C2=CC=CS2

InChI

InChIKey=VWGJUXTWIWCQGL-UHFFFAOYSA-M
InChI=1S/C18H30NO3S.BrH/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16;/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
PENTHIENATE BROMIDE
MART.   MI   WHO-DD  
Common Name English
2-(2-Cyclopentyl-2-hydroxy-2-(thiophen-2-yl)acetoxy)-N,N-diethyl-N-methylethanaminium bromide
Systematic Name English
NSC-61814
Code English
MONODRAL BROMIDE
Brand Name English
Penthienate bromide [WHO-DD]
Common Name English
PENTHIENATE BROMIDE [MI]
Common Name English
PENTHIENATE BROMIDE [MART.]
Common Name English
Code System Code Type Description
MERCK INDEX
m873
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2110700
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
SMS_ID
100000079758
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
FDA UNII
MA4DVZ926O
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
EVMPD
SUB14798MIG
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
MESH
C102258
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-478-2
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
PUBCHEM
6066
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
CAS
60-44-6
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID60875110
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY
NSC
61814
Created by admin on Fri Dec 15 16:30:19 UTC 2023 , Edited by admin on Fri Dec 15 16:30:19 UTC 2023
PRIMARY