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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11IN2O
Molecular Weight 288.1011
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-85380 5-I-125

SMILES

[125I]C1=CN=CC(OC[C@@H]2CCN2)=C1

InChI

InChIKey=RKVRGRXOYDTUEY-LECBFVKTSA-N
InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1/i10-2

HIDE SMILES / InChI

Molecular Formula C9H11IN2O
Molecular Weight 288.1011
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:34:25 GMT 2025
Edited
by admin
on Wed Apr 02 20:34:25 GMT 2025
Record UNII
SD38SD63KE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-85380 5-I-125
Code English
5-[125I]IODO-A-85380
Preferred Name English
PYRIDINE, 3-((2S)-2-AZETIDINYLMETHOXY)-5-(IODO-125I)-
Common Name English
3-((2S)-2-AZETIDINYLMETHOXY)-5-IODO-PYRIDINE, I-125
Common Name English
3-[(2S)-2-Azetidinylmethoxy]-5-(iodo-125I)pyridine
Systematic Name English
Code System Code Type Description
FDA UNII
SD38SD63KE
Created by admin on Wed Apr 02 20:34:25 GMT 2025 , Edited by admin on Wed Apr 02 20:34:25 GMT 2025
PRIMARY
CAS
207565-02-4
Created by admin on Wed Apr 02 20:34:25 GMT 2025 , Edited by admin on Wed Apr 02 20:34:25 GMT 2025
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Kd
Related Record Type Details
ACTIVE MOIETY
SPECT tracer that labels ?4?2 nAChRs.