(1S,3S,4S,5R)-3-(4-IODANYLPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLIC ACID

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

Structure Search

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

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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

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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

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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

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Related Record Type Details


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IOFLUPANE I-123

PARENT -> METABOLITE