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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23FINO2
Molecular Weight 431.2836
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOFLUPANE

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(I)C=C3)N2CCCF

InChI

InChIKey=HXWLAJVUJSVENX-HZMVEIRTSA-N
InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23FINO2
Molecular Weight 431.2836
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 10:15:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:15:44 GMT 2023
Record UNII
VF232WE742
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOFLUPANE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER, (1R-(EXO,EXO))-
Systematic Name English
J731.794H
Code English
NMA-78
Code English
.BETA.-CIT-FP
Common Name English
RTI-313
Code English
(1R,2S,3S,5S)-8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID METHYL ESTER
Systematic Name English
Code System Code Type Description
SMS_ID
100000176986
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY
FDA UNII
VF232WE742
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY
PUBCHEM
10048368
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY
CAS
155797-99-2
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
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EPA CompTox
DTXSID30935290
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
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EVMPD
SUB192095
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY
RXCUI
2571854
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY
IUPHAR
7653
Created by admin on Sat Dec 16 10:15:44 GMT 2023 , Edited by admin on Sat Dec 16 10:15:44 GMT 2023
PRIMARY