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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28NO2
Molecular Weight 314.4418
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of APO-IPRATROPIUM

SMILES

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

InChI

InChIKey=APBFGXKTZSOWLK-KBCPTCDJSA-N
InChI=1S/C20H28NO2/c1-14(2)21(4)17-10-11-18(21)13-19(12-17)23-20(22)15(3)16-8-6-5-7-9-16/h5-9,14,17-19H,3,10-13H2,1-2,4H3/q+1/t17-,18+,19+,21+

HIDE SMILES / InChI

Molecular Formula C20H28NO2
Molecular Weight 314.4418
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:39 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:39 GMT 2023
Record UNII
N98X3Q2AY4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APO-IPRATROPIUM
Common Name English
IPRATROPIUM BROMIDE IMPURITY F [EP IMPURITY]
Common Name English
8-AZONIABICYCLO(3.2.1)OCTANE, 8-METHYL-8-(1-METHYLETHYL)-3-((1-OXO-2-PHENYL-2-PROPEN-1-YL)OXY)-, (3-ENDO,8-SYN)-
Systematic Name English
(1R,3r,5S,8r)-8-methyl-8-(1-methylethyl)-3-[(2-phenylpropenoyl)oxy]-8-azoniabicyclo[3.2.1]octane
Common Name English
(3-ENDO,8-SYN)-8-METHYL-8-(1-METHYLETHYL)-3-((1-OXO-2-PHENYL-2-PROPEN-1-YL)OXY)-8-AZONIABICYCLO(3.2.1)OCTANE
Systematic Name English
Code System Code Type Description
CAS
792131-69-2
Created by admin on Sat Dec 16 09:29:40 GMT 2023 , Edited by admin on Sat Dec 16 09:29:40 GMT 2023
PRIMARY
FDA UNII
N98X3Q2AY4
Created by admin on Sat Dec 16 09:29:40 GMT 2023 , Edited by admin on Sat Dec 16 09:29:40 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY