BARBETONIUM IODIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H28N3O3.I
Molecular Weight	473.3484
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[I-].CCC1(C(=O)NC(=O)N(CC[N+](C)(CC)CC)C1=O)C2=CC=CC=C2

InChI

InChIKey=YQPJJELNEKTZSA-UHFFFAOYSA-N

InChI=1S/C19H27N3O3.HI/c1-5-19(15-11-9-8-10-12-15)16(23)20-18(25)21(17(19)24)13-14-22(4,6-2)7-3;/h8-12H,5-7,13-14H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula	HI
Molecular Weight	127.9124
Charge	0
Count

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

Molecular Formula	C19H28N3O3
Molecular Weight	346.4439
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:48:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:48:33 GMT 2023`
Record UNII	H443GWS1FC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BARBETONIUM IODIDE

Common Name

English

DEFENAL

Brand Name

English

BARBETONIUM IODIDE [MART.]

Common Name

English

1(2H)-PYRIMIDINEETHANAMINIUM, N,N,5-TRIETHYLTETRAHYDRO-N-METHYL-2,4,6-TRIOXO-5-PHENYL-, IODIDE (1:1)

Systematic Name

English

DIETHYL(2-(5-ETHYLTETRAHYDRO-2,4,6-TRIOXO-5-PHENYL-1(2H)-PYRIMIDINYL)ETHYL)METHYLAMMONIUM IODIDE

Systematic Name

English

DEFENALE

Brand Name

English

AMMONIUM, DIETHYL(2-(5-ETHYLHEXAHYDRO-2,4,6-TRIOXO-5-PHENYL-2-PYRIMIDINYL)ETHYL)METHYL-, IODIDE

Systematic Name

English

BARBETONII IODIDUM

Systematic Name

English

DIETHYL(2-(5-ETHYLPERHYDRO-2,4,6-TRIOXO-5-PHENYLPYRIMIDIN-1-YL)ETHYL)METHYLAMMONIUM IODIDE

Systematic Name

English

CS-11

Code

English

Code System Code Type Description

FDA UNII

H443GWS1FC

Created by admin on Sat Dec 16 18:48:34 GMT 2023 , Edited by admin on Sat Dec 16 18:48:34 GMT 2023

PRIMARY

PUBCHEM

3083945

Created by admin on Sat Dec 16 18:48:34 GMT 2023 , Edited by admin on Sat Dec 16 18:48:34 GMT 2023

PRIMARY

CAS

6191-48-6

Created by admin on Sat Dec 16 18:48:34 GMT 2023 , Edited by admin on Sat Dec 16 18:48:34 GMT 2023

PRIMARY

EPA CompTox

DTXSID90977459

Created by admin on Sat Dec 16 18:48:34 GMT 2023 , Edited by admin on Sat Dec 16 18:48:34 GMT 2023

PRIMARY

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