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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22NO3S2
Molecular Weight 376.513
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (1R,3s,5S)-3-[[hydroxy[di(thiophen-2-yl)]acetyl]oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium

SMILES

[H][C@]12C[C@@H](C[C@]([H])(C=C1)[N+]2(C)C)OC(=O)C(O)(C3=CC=CS3)C4=CC=CS4

InChI

InChIKey=ZSFMCDALUUSWAN-FICVDOATSA-N
InChI=1S/C19H22NO3S2/c1-20(2)13-7-8-14(20)12-15(11-13)23-18(21)19(22,16-5-3-9-24-16)17-6-4-10-25-17/h3-10,13-15,22H,11-12H2,1-2H3/q+1/t13-,14+,15+

HIDE SMILES / InChI

Molecular Formula C19H22NO3S2
Molecular Weight 376.513
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:18 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:18 GMT 2023
Record UNII
ESX4NU3VH3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,3s,5S)-3-[[hydroxy[di(thiophen-2-yl)]acetyl]oxy]-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium
Systematic Name English
8-Azoniabicyclo[3.2.1]oct-6-ene, 3-[(hydroxydi-2-thienylacetyl)oxy]-8,8-dimethyl-, endo-
Systematic Name English
TIOTROPIUM BROMIDE MONOHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
136431-89-5
Created by admin on Sat Dec 16 19:48:19 GMT 2023 , Edited by admin on Sat Dec 16 19:48:19 GMT 2023
PRIMARY
FDA UNII
ESX4NU3VH3
Created by admin on Sat Dec 16 19:48:19 GMT 2023 , Edited by admin on Sat Dec 16 19:48:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY