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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16INO2
Molecular Weight 353.1879
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,3S,4S,5R)-3-(4-IODANYLPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLIC ACID

SMILES

OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C([123I])C=C3)N2

InChI

InChIKey=UTAQIGQPWSUHCG-MMDHFLJNSA-N
InChI=1S/C14H16INO2/c15-9-3-1-8(2-4-9)11-7-10-5-6-12(16-10)13(11)14(17)18/h1-4,10-13,16H,5-7H2,(H,17,18)/t10-,11+,12+,13-/m0/s1/i15-4

HIDE SMILES / InChI

Molecular Formula C14H16INO2
Molecular Weight 353.1879
Charge 0
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 14:28:57 GMT 2023
Edited
by admin
on Sat Dec 16 14:28:57 GMT 2023
Record UNII
NRN2X6YX89
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,3S,4S,5R)-3-(4-IODANYLPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLIC ACID
Systematic Name English
NOR IOFLUPANE ACID
Common Name English
NOR-BETA-CIT ACID
Common Name English
IOFLUPANE I-123 METABOLITE (NOR-BETA-CIT ACID)
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-(IODO-123I)PHENYL)-, (1R,2S,3S,5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
155929039
Created by admin on Sat Dec 16 14:28:57 GMT 2023 , Edited by admin on Sat Dec 16 14:28:57 GMT 2023
PRIMARY
FDA UNII
NRN2X6YX89
Created by admin on Sat Dec 16 14:28:57 GMT 2023 , Edited by admin on Sat Dec 16 14:28:57 GMT 2023
PRIMARY
CAS
261164-30-1
Created by admin on Sat Dec 16 14:28:57 GMT 2023 , Edited by admin on Sat Dec 16 14:28:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE