METHYL 3-(4-(IODO-123I)PHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE, (1R,2S,3S,5S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H18INO2
Molecular Weight	367.2145
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 3-(4-(IODO-123I)PHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE, (1R,2S,3S,5S)-

Structure Search

SMILES

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

InChI

InChIKey=IBOZZWGMZPMXBO-VBGMXMLUSA-N

InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13+,14-/m0/s1/i16-4

HIDE SMILES / InChI

Molecular Formula	C15H18INO2
Molecular Weight	367.2145
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 `Tue Apr 01 23:34:00 GMT 2025` Edited by `admin` on `Tue Apr 01 23:34:00 GMT 2025`
Record UNII	S0MHU698ZB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL 3-(4-(IODO-123I)PHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE, (1R,2S,3S,5S)-

Systematic Name

English

(123I)NOR-BETA-CIT

Preferred Name

English

IOFLUPANE I-123 METABOLITE (NOR-BETA-CIT)

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-(IODO-123I)PHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

Iodine (123 i)-nor-beta-cit

Common Name

English

Iodine (123 i)-nor-beta-cit [WHO-DD]

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-(IODO-123I)PHENYL)-, METHYL ESTER, (1R-(EXO,EXO))-

Systematic Name

English

Code System Code Type Description

CAS

186528-28-9

Created by admin on Tue Apr 01 23:34:00 GMT 2025 , Edited by admin on Tue Apr 01 23:34:00 GMT 2025

PRIMARY

PUBCHEM

14930270

Created by admin on Tue Apr 01 23:34:00 GMT 2025 , Edited by admin on Tue Apr 01 23:34:00 GMT 2025

PRIMARY

FDA UNII

S0MHU698ZB

Created by admin on Tue Apr 01 23:34:00 GMT 2025 , Edited by admin on Tue Apr 01 23:34:00 GMT 2025

PRIMARY

Related Record Type Details


					3MM99T8R5Q

IOFLUPANE I-123

PARENT -> METABOLITE

Amount: