PHA-568487

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H20N2O3
Molecular Weight	288.3416
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C(N[C@H]1CN2CCC1CC2)C3=CC4=C(OCCO4)C=C3

InChI

InChIKey=LUVXHMJTVXZFPD-ZDUSSCGKSA-N

InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H20N2O3
Molecular Weight	288.3416
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:37:08 UTC 2023` Edited by `admin` on `Fri Dec 15 16:37:08 UTC 2023`
Record UNII	C9IF5SIJ2I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHA-568487

Common Name

English

N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-CARBOXAMIDE

Systematic Name

English

1,4-BENZODIOXIN-6-CARBOXAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,3-DIHYDRO-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID1047285

Created by admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023

PRIMARY

FDA UNII

C9IF5SIJ2I

Created by admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023

PRIMARY

PUBCHEM

9932000

Created by admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023

PRIMARY

CAS

527680-56-4

Created by admin on Fri Dec 15 16:37:08 UTC 2023 , Edited by admin on Fri Dec 15 16:37:08 UTC 2023

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Related Record Type Details


					P4J1I8C6CX

NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7

TARGET -> AGONIST

Comments:

(.ALPHA.7 NACHR) IN VITRO DATA KI = 8.8 +/- 1.3 NM

Amount: