IOMETOPANE I-124

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H20INO2
Molecular Weight	382.2417
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C([124I])C=C3)N2C

InChI

InChIKey=SIIICDNNMDMWCI-IWFZPERZSA-N

InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1/i17-3

HIDE SMILES / InChI

Molecular Formula	C16H20INO2
Molecular Weight	382.2417
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8998475 | https://www.ncbi.nlm.nih.gov/pubmed/19893406

Iometopane (RTI-55, beta-CIT) is a cocaine congener, binding to the neuronal dopamine and serotonin reuptake transporters affinity of Kd = 0.3 nM. Radiopharmaceutical forms of RTI-55 are used in single-photon emission computer tomography. Radioisotops 123I and 125I are favored, but 124I also used as a positron emitter to diagnose Parkinson's Disease.

CNS Activity

Approval Year

PubMed

Title	Date	PubMed
N.c.a. radiosynthesis of [123,124I]beta-CIT, plasma analysis and pharmacokinetic studies with SPECT and PET.	1995 Nov	8998475
Unexpected detection of melanoma brain metastasis by PET with iodine-124 betaCIT.	2009 Oct	19893406

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:10:28 GMT 2023` Edited by `admin` on `Sat Dec 16 10:10:28 GMT 2023`
Record UNII	E3F4W5J90T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOMETOPANE I-124

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-(IODO-124I)PHENYL)-8-METHYL-, METHYL ESTER, (1R-(EXO,EXO))-

Systematic Name

English

IODINE (124I) 2-BETA-CARBOMETHOXY-3BETA-(4-IODOPHENYL)-TROPANE

Common Name

English

RTI-55 I-124

Code

English

IODINE (124I) 2.BETA.-CARBOMETHOXY-3.BETA.-(4 IODOPHENYL)-TROPANE

Systematic Name

English

Classification Tree Code System Code

WHO-VATC

QV09AX03