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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22INO2
Molecular Weight 399.2672
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-353

SMILES

CCc1ccc(cc1I)[C@@]2([H])C[C@]3([H])CC[C@]([H])([C@@]2([H])C(=O)OC)N3

InChI

InChIKey=BSMPOYNWUIFFDN-XNISGKROSA-N
InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13+,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22INO2
Molecular Weight 399.2672
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 Fri Jun 25 21:41:56 UTC 2021
Edited
by admin
on Fri Jun 25 21:41:56 UTC 2021
Record UNII
ZSB3P8YAZ9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RTI-353
Code English
METHYL (1R,2S,3S,5S)-3-(4-ETHYL-3-IODOPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLATE
Systematic Name English
RTI(-4229)-353
Code English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-ETHYL-3-IODOPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(4-ETHYL-3-IODOPHENYL)-, METHYL ESTER, (1R-(EXO,EXO))-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
RTI-353
Created by admin on Fri Jun 25 21:41:56 UTC 2021 , Edited by admin on Fri Jun 25 21:41:56 UTC 2021
PRIMARY
FDA UNII
ZSB3P8YAZ9
Created by admin on Fri Jun 25 21:41:56 UTC 2021 , Edited by admin on Fri Jun 25 21:41:56 UTC 2021
PRIMARY
PUBCHEM
9801045
Created by admin on Fri Jun 25 21:41:56 UTC 2021 , Edited by admin on Fri Jun 25 21:41:56 UTC 2021
PRIMARY
CAS
198990-83-9
Created by admin on Fri Jun 25 21:41:56 UTC 2021 , Edited by admin on Fri Jun 25 21:41:56 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY