5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17NO2.ClH
Molecular Weight	303.783
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride

Structure Search

SMILES

Cl.CN(C)C1=CC=C(O)C(=C1)C(=O)\C=C\C2=CC=CC=C2

InChI

InChIKey=BZLMAJBVRRXFGP-VRTOBVRTSA-N

InChI=1S/C17H17NO2.ClH/c1-18(2)14-9-11-17(20)15(12-14)16(19)10-8-13-6-4-3-5-7-13;/h3-12,20H,1-2H3;1H/b10-8+;

HIDE SMILES / InChI

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

Molecular Formula	C17H17NO2
Molecular Weight	267.3224
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:41:37 GMT 2023` Edited by `admin` on `Sat Dec 16 12:41:37 GMT 2023`
Record UNII	958REG2WEJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5'-(Dimethylamino)-2'-hydroxychalcone hydrochloride

Systematic Name

English

2-Propen-1-one, 1-[5-(dimethylamino)-2-hydroxyphenyl]-3-phenyl-, hydrochloride

Systematic Name

English

Code System Code Type Description

PUBCHEM

5744239

Created by admin on Sat Dec 16 12:41:37 GMT 2023 , Edited by admin on Sat Dec 16 12:41:37 GMT 2023

PRIMARY

FDA UNII

958REG2WEJ

Created by admin on Sat Dec 16 12:41:37 GMT 2023 , Edited by admin on Sat Dec 16 12:41:37 GMT 2023

PRIMARY

ECHA (EC/EINECS)

302-158-9

Created by admin on Sat Dec 16 12:41:37 GMT 2023 , Edited by admin on Sat Dec 16 12:41:37 GMT 2023

PRIMARY

CAS

94094-56-1

Created by admin on Sat Dec 16 12:41:37 GMT 2023 , Edited by admin on Sat Dec 16 12:41:37 GMT 2023

PRIMARY

EPA CompTox

DTXSID50240515

Created by admin on Sat Dec 16 12:41:37 GMT 2023 , Edited by admin on Sat Dec 16 12:41:37 GMT 2023

PRIMARY