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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22INO3
Molecular Weight 463.3088
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-QUINUCLIDINYL-4-IODOBENZILATE, (3R,R)-

SMILES

O[C@](C(=O)O[C@H]1CN2CCC1CC2)(C3=CC=CC=C3)C4=CC=C(I)C=C4

InChI

InChIKey=MHBGDNWDRYOZPX-PZJWPPBQSA-N
InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22INO3
Molecular Weight 463.3088
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:56:02 GMT 2023
Edited
by admin
on Sat Dec 16 14:56:02 GMT 2023
Record UNII
H7J5VY37DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-QUINUCLIDINYL-4-IODOBENZILATE, (3R,R)-
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-4-IODO-.ALPHA.-PHENYL-, (3R)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (.ALPHA.R)-
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-4-IODO-.ALPHA.-PHENYL-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (R-(R*,R*))-
Systematic Name English
(R,R)-IQNB
Common Name English
Code System Code Type Description
PUBCHEM
54071930
Created by admin on Sat Dec 16 14:56:02 GMT 2023 , Edited by admin on Sat Dec 16 14:56:02 GMT 2023
PRIMARY
FDA UNII
H7J5VY37DS
Created by admin on Sat Dec 16 14:56:02 GMT 2023 , Edited by admin on Sat Dec 16 14:56:02 GMT 2023
PRIMARY
CAS
137820-96-3
Created by admin on Sat Dec 16 14:56:02 GMT 2023 , Edited by admin on Sat Dec 16 14:56:02 GMT 2023
PRIMARY