JTK-101

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H23N3O3
Molecular Weight	413.4684
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C3OC4(CCN(CC5=CC=C(C=C5)C#N)CC4)NC(=O)C3=CC=C2C=C1

InChI

InChIKey=IFFDMBLMXJBGLL-UHFFFAOYSA-N

InChI=1S/C25H23N3O3/c1-30-20-8-6-19-7-9-21-23(22(19)14-20)31-25(27-24(21)29)10-12-28(13-11-25)16-18-4-2-17(15-26)3-5-18/h2-9,14H,10-13,16H2,1H3,(H,27,29)

HIDE SMILES / InChI

Molecular Formula	C25H23N3O3
Molecular Weight	413.4684
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:06:16 GMT 2023` Edited by `admin` on `Sat Dec 16 09:06:16 GMT 2023`
Record UNII	51734Z58WS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JTK-101

Common Name

English

JTK-1011

Common Name

English

BENZONITRILE, 4-((3,4-DIHYDRO-9-METHOXY-4-OXOSPIRO(2H-NAPHTH(2,1-E)-1,3-OXAZINE-2,4'-PIPERIDIN)-1'-YL)METHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11177438

Created by admin on Sat Dec 16 09:06:16 GMT 2023 , Edited by admin on Sat Dec 16 09:06:16 GMT 2023

PRIMARY

FDA UNII

51734Z58WS

Created by admin on Sat Dec 16 09:06:16 GMT 2023 , Edited by admin on Sat Dec 16 09:06:16 GMT 2023

PRIMARY

CAS

860642-28-0

Created by admin on Sat Dec 16 09:06:16 GMT 2023 , Edited by admin on Sat Dec 16 09:06:16 GMT 2023

SUPERSEDED

CAS

503048-34-8

Created by admin on Sat Dec 16 09:06:16 GMT 2023 , Edited by admin on Sat Dec 16 09:06:16 GMT 2023

PRIMARY

Related Record Type Details


					51734Z58WS

JTK-101

ACTIVE MOIETY