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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21FINO2
Molecular Weight 413.2581
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,3S,4S,5R)-8-(3-FLUOROPROPYL)-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)N2CCCF

InChI

InChIKey=BYKIZNNFQUIPSK-NSYGSERUSA-N
InChI=1S/C17H21FINO2/c18-8-1-9-20-13-6-7-15(20)16(17(21)22)14(10-13)11-2-4-12(19)5-3-11/h2-5,13-16H,1,6-10H2,(H,21,22)/t13-,14+,15+,16-/m0/s1/i19-4

HIDE SMILES / InChI

Molecular Formula C17H21FINO2
Molecular Weight 413.2581
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 14:23:59 UTC 2023
Edited
by admin
on Sat Dec 16 14:23:59 UTC 2023
Record UNII
5FUN7WNM9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,3S,4S,5R)-8-(3-FLUOROPROPYL)-3-(4-IODANYLPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLIC ACID
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-(IODO-123I)PHENYL)-, (1R,2S,3S,5S)-
Systematic Name English
IOFLUPANE ACID
Common Name English
FP-CIT ACID
Common Name English
IOFLUPANE I-123 METABOLITE (IOFLUPANE ACID)
Common Name English
Code System Code Type Description
FDA UNII
5FUN7WNM9M
Created by admin on Sat Dec 16 14:23:59 UTC 2023 , Edited by admin on Sat Dec 16 14:23:59 UTC 2023
PRIMARY
PUBCHEM
138394041
Created by admin on Sat Dec 16 14:23:59 UTC 2023 , Edited by admin on Sat Dec 16 14:23:59 UTC 2023
PRIMARY
CAS
261164-29-8
Created by admin on Sat Dec 16 14:23:59 UTC 2023 , Edited by admin on Sat Dec 16 14:23:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE