1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H25NO3.ClH
Molecular Weight	363.878
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE

Structure Search

SMILES

Cl.CC(C)(C)N(CC(=O)C1=CC(CO)=C(O)C=C1)CC2=CC=CC=C2

InChI

InChIKey=QXNITHCPVLQQEN-UHFFFAOYSA-N

InChI=1S/C20H25NO3.ClH/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22;/h4-11,22-23H,12-14H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula	C20H25NO3
Molecular Weight	327.4174
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 08:23:30 UTC 2023` Edited by `admin` on `Sat Dec 16 08:23:30 UTC 2023`
Record UNII	HZH6XSQ72R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(4'-HYDROXY-3'-HYDROXYMETHYL)-2-(BENZYL-TERT-BUTYLAMINO)ETHANONE HYDROCHLORIDE

Common Name

English

Ethanone, 2-[(1,1-dimethylethyl)(phenylmethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]-, hydrochloride (1:1)

Systematic Name

English

Acetophenone, 2-(benzyl-tert-butylamino)-4′-hydroxy-3′-(hydroxymethyl)-, hydrochloride

Systematic Name

English

2-(Benzyl(tert-butyl)amino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone hydrochloride

Systematic Name

English

2-(Benzyl-tert-butylamino)-4′-hydroxy-3′-hydroxymethylacetophenone hydrochloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

154872

Created by admin on Sat Dec 16 08:23:30 UTC 2023 , Edited by admin on Sat Dec 16 08:23:30 UTC 2023

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CAS

24085-08-3

Created by admin on Sat Dec 16 08:23:30 UTC 2023 , Edited by admin on Sat Dec 16 08:23:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID00178814

Created by admin on Sat Dec 16 08:23:30 UTC 2023 , Edited by admin on Sat Dec 16 08:23:30 UTC 2023

PRIMARY

FDA UNII

HZH6XSQ72R

Created by admin on Sat Dec 16 08:23:30 UTC 2023 , Edited by admin on Sat Dec 16 08:23:30 UTC 2023

PRIMARY

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