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Details

Stereochemistry RACEMIC
Molecular Formula C16H22INO
Molecular Weight 371.2564
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 8-HYDROXY-PIPAT

SMILES

CCCN(C\C=C\I)C1CCC2=CC=CC(O)=C2C1

InChI

InChIKey=QBXHUZJZYDSLRH-RUDMXATFSA-N
InChI=1S/C16H22INO/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14/h3-6,9,14,19H,2,7-8,10-12H2,1H3/b9-4+

HIDE SMILES / InChI

Molecular Formula C16H22INO
Molecular Weight 371.2564
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.38 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:27 GMT 2023
Record UNII
CI98RA0M97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-HYDROXY-PIPAT
Common Name English
1-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-7-(((2E)-3-IODO-2-PROPEN-1-YL)PROPYLAMINO)-
Systematic Name English
8-HYDROXY-PIPAT, (±)-
Common Name English
8-HYDROXY-2-(N-N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO)TETRALIN
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5042582
Created by admin on Sat Dec 16 12:52:27 GMT 2023 , Edited by admin on Sat Dec 16 12:52:27 GMT 2023
PRIMARY
CAS
159651-91-9
Created by admin on Sat Dec 16 12:52:27 GMT 2023 , Edited by admin on Sat Dec 16 12:52:27 GMT 2023
PRIMARY
PUBCHEM
6142670
Created by admin on Sat Dec 16 12:52:27 GMT 2023 , Edited by admin on Sat Dec 16 12:52:27 GMT 2023
PRIMARY
FDA UNII
CI98RA0M97
Created by admin on Sat Dec 16 12:52:27 GMT 2023 , Edited by admin on Sat Dec 16 12:52:27 GMT 2023
PRIMARY
CAS
159559-70-3
Created by admin on Sat Dec 16 12:52:27 GMT 2023 , Edited by admin on Sat Dec 16 12:52:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
SALT/SOLVATE -> PARENT