8-HYDROXY-PIPAT OXALATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H22INO.C2H2O4
Molecular Weight	461.2913
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=XIBSIFOFYWBOAQ-JOKMOOFLSA-N

InChI=1S/C16H22INO.C2H2O4/c1-2-10-18(11-4-9-17)14-8-7-13-5-3-6-16(19)15(13)12-14;3-1(4)2(5)6/h3-6,9,14,19H,2,7-8,10-12H2,1H3;(H,3,4)(H,5,6)/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	( + / - )

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL273 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8230102	Agonist 2678		0.38 nM [Kd]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:52:29 GMT 2023` Edited by `admin` on `Sat Dec 16 12:52:29 GMT 2023`
Record UNII	CB7RTA3U8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-HYDROXY-PIPAT OXALATE

Common Name

English

8-HYDROXY-PIPAT OXALATE, (±)-

Common Name

English

8-HYDROXY-2-(N-N-PROPYL-N-(3'-IODO-2'-PROPENYL)AMINO)TETRALIN OXALATE

Systematic Name

English

1-NAPHTHALENOL, 5,6,7,8-TETRAHYDRO-7-(((2E)-3-IODO-2-PROPEN-1-YL)PROPYLAMINO)-, ETHANEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

56972162

Created by admin on Sat Dec 16 12:52:29 GMT 2023 , Edited by admin on Sat Dec 16 12:52:29 GMT 2023

PRIMARY

CAS

1217197-58-4

Created by admin on Sat Dec 16 12:52:29 GMT 2023 , Edited by admin on Sat Dec 16 12:52:29 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

1451210-48-2

Created by admin on Sat Dec 16 12:52:29 GMT 2023 , Edited by admin on Sat Dec 16 12:52:29 GMT 2023

PRIMARY

FDA UNII

CB7RTA3U8T

Created by admin on Sat Dec 16 12:52:29 GMT 2023 , Edited by admin on Sat Dec 16 12:52:29 GMT 2023

PRIMARY

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8-HYDROXY-PIPAT

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