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Details

Stereochemistry RACEMIC
Molecular Formula C9H16NO2
Molecular Weight 170.2288
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (2RS,3aSR,5RS,6RS,6aRS)-6-Hydroxy-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium

SMILES

[H][C@@]12O[C@H]3C[C@]1([H])[N+](C)(C)[C@H](C3)[C@H]2O

InChI

InChIKey=DXIKCPKBYKKXPY-SYHAXYEDSA-N
InChI=1S/C9H16NO2/c1-10(2)6-3-5-4-7(10)9(12-5)8(6)11/h5-9,11H,3-4H2,1-2H3/q+1/t5-,6-,7+,8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16NO2
Molecular Weight 170.2288
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:59:17 GMT 2023
Edited
by admin
on Sat Dec 16 19:59:17 GMT 2023
Record UNII
63H3PU97VN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2RS,3aSR,5RS,6RS,6aRS)-6-Hydroxy-4,4-dimethylhexahydro-2H-2,5-methanofuro[3,2-b]pyrrol-4-ium
Systematic Name English
TIOTROPIUM BROMIDE MONOHYDRATE IMPURITY H [EP IMPURITY]
Common Name English
(1s,3RS,4RS,5RS,7SR)-4-hydroxy-6,6-dimethyl-2-oxa-6-azatricyclo[3.3.1.0<sup>3,7</sup>]nonan-6-ium
Systematic Name English
rel-(2R,3aS,5R,6R,6aR)-Hexahydro-6-hydroxy-4,4-dimethyl-2,5-methano-2H-furo[3,2-b]pyrrolium
Systematic Name English
Code System Code Type Description
CAS
1044148-25-5
Created by admin on Sat Dec 16 19:59:17 GMT 2023 , Edited by admin on Sat Dec 16 19:59:17 GMT 2023
PRIMARY
FDA UNII
63H3PU97VN
Created by admin on Sat Dec 16 19:59:17 GMT 2023 , Edited by admin on Sat Dec 16 19:59:17 GMT 2023
PRIMARY
PUBCHEM
145714381
Created by admin on Sat Dec 16 19:59:17 GMT 2023 , Edited by admin on Sat Dec 16 19:59:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY