U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24INO2
Molecular Weight 423.304
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PE-2I I-125

SMILES

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C3=CC=C(C)C=C3)C(=O)OC)N2C\C=C\[125I]

InChI

InChIKey=YYCOWMQMXNLRHZ-OXROODGVSA-N
InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1/i20-2

HIDE SMILES / InChI

Molecular Formula C19H24INO2
Molecular Weight 423.304
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:42 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:42 GMT 2023
Record UNII
D6UF8X4OMB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PE-2I I-125
Common Name English
(125I)-PE 2I
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-(IODO-125I)-2-PROPEN-1-YL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-(IODO-125I)-2-PROPENYL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R-(1.ALPHA.,2.ALPHA.,3.ALPHA.,5.ALPHA.,8(E)))-
Systematic Name English
METHYL (1S,3S,4S,5R)-8-((E)-3-IODANYLALLYL)-3-(P-TOLYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
199734-14-0
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
FDA UNII
D6UF8X4OMB
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID00724956
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
WEB RESOURCE
(125I)-PE 2I
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY ((125)I)PE2I characterized postmortem in human brains has revealed very intense and selective binding in the basal ganglia. Ex vivo autoradiography in rats has shown that high level of ((125)I)PE2I accumulates in the striatum and also in the substantia nigra and ventral tegmental area. ((125)I)PE2I accumulation in the rat striatum is rapid, high, and selective, providing a maximum striatum/cerebellum ratio of 10 during the first 30 min post injection.
PUBCHEM
15381569
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY