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Details

Stereochemistry RACEMIC
Molecular Formula C20H27N2O2S.Br
Molecular Weight 439.41
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTEFONIUM BROMIDE

SMILES

[Br-].CN(CC[N+]1(C)CCCC1)C(=O)C(O)(C2=CC=CS2)C3=CC=CC=C3

InChI

InChIKey=UAZAHFDNEPPZHN-UHFFFAOYSA-M
InChI=1S/C20H27N2O2S.BrH/c1-21(12-15-22(2)13-6-7-14-22)19(23)20(24,18-11-8-16-25-18)17-9-4-3-5-10-17;/h3-5,8-11,16,24H,6-7,12-15H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H26N2O2S
Molecular Weight 358.498
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity ( + / - )

Description

Dotefonium is the anticholinergic, spasmolytic agent.

Approval Year

Substance Class Chemical
Record UNII
D762286A5N
Record Status Validated (UNII)
Record Version