3-ETHYLHEXAHYDRO-3-(3-METHOXYPHENYL)-1-METHYL-1H-AZEPINE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C16H25NO
Molecular Weight	247.3758
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ETHYLHEXAHYDRO-3-(3-METHOXYPHENYL)-1-METHYL-1H-AZEPINE

Structure Search

SMILES

CCC1(CCCCN(C)C1)C2=CC=CC(OC)=C2

InChI

InChIKey=MJHKYIKIHNDTBK-UHFFFAOYSA-N

InChI=1S/C16H25NO/c1-4-16(10-5-6-11-17(2)13-16)14-8-7-9-15(12-14)18-3/h7-9,12H,4-6,10-11,13H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C16H25NO
Molecular Weight	247.3758
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:05 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:05 GMT 2025`
Record UNII	14M8W9378M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ETHYLHEXAHYDRO-3-(3-METHOXYPHENYL)-1-METHYL-1H-AZEPINE

Systematic Name

English

1H-AZEPINE, 3-ETHYLHEXAHYDRO-3-(3-METHOXYPHENYL)-1-METHYL-

Preferred Name

English

Code System Code Type Description

CAS

71556-73-5

Created by admin on Tue Apr 01 16:26:05 GMT 2025 , Edited by admin on Tue Apr 01 16:26:05 GMT 2025

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PUBCHEM

11970584

Created by admin on Tue Apr 01 16:26:05 GMT 2025 , Edited by admin on Tue Apr 01 16:26:05 GMT 2025

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ECHA (EC/EINECS)

275-621-5

Created by admin on Tue Apr 01 16:26:05 GMT 2025 , Edited by admin on Tue Apr 01 16:26:05 GMT 2025

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FDA UNII

14M8W9378M

Created by admin on Tue Apr 01 16:26:05 GMT 2025 , Edited by admin on Tue Apr 01 16:26:05 GMT 2025

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EPA CompTox

DTXSID40992112

Created by admin on Tue Apr 01 16:26:05 GMT 2025 , Edited by admin on Tue Apr 01 16:26:05 GMT 2025

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