Basic information
- CAS
1451210-48-2- Standard SMILES
CCCN(C/C=C/I)C1CCc2cccc(O)c2C1.O=C(O)C(=O)O- InChIKey
XIBSIFOFYWBOAQ-JOKMOOFLSA-N- Molecular formula
- C18H24INO5
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 461.06992
Names & identifiers
- Preferred name
- 8-Hydroxy-PIPAT oxalate
- IUPAC
- 7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol;oxalic acid
- English name
- 8-Hydroxy-PIPAT oxalate
- Molecular formula
- C18H24INO5
- Molecular weight
- 461.3
Names & synonyms
8-Hydroxy-PIPAT oxalate1451210-48-2CB7RTA3U8T8-Hydroxy-PIPATOxalate8-Hydroxy-pipat oxalate, (+/-)-UNII-CB7RTA3U8T8-Hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin oxalate1-Naphthalenol, 5,6,7,8-tetrahydro-7-(((2E)-3-iodo-2-propen-1-yl)propylamino)-, ethanedioate (1:1)7-[[(E)-3-iodoprop-2-enyl]-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol;oxalic acid8 Hydroxy PIPAT oxalate(RS)-TRANS-8-HYDROXY-2-[N-N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO]TETRALIN OXALATE8 Hydroxy PIPAT (oxalate)
Show more names
orb2695499HMS3414I13HMS3678I13EX-A15404AKOS024458654MS-33272PD021933CS-0021011
Database identifiers
- CAS
1451210-48-2- PubChem CID
- 56972162
- UNII
- CB7RTA3U8T
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- solubility
- 100 mM · Soluble to 100 mM in ethanol and to 100 mM in DMSO
- form
- Powder
- FDA UNII
- 7 RTA3U8T · CB7RTA3U8T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses8-Hydroxy-PIPAT Oxalate is a serotonerginic receptor antagonists and may be used in the treatment of disorders of serotonin release.
Suppliers5 total
Aladdin Scientific[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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