SIGMODAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H17BrN2O3
Molecular Weight	317.179
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SIGMODAL

Structure Search

SMILES

CCCC(C)C1(CC(Br)=C)C(=O)NC(=O)NC1=O

InChI

InChIKey=ZGVCLZRQOUEZHG-UHFFFAOYSA-N

InChI=1S/C12H17BrN2O3/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C12H17BrN2O3
Molecular Weight	317.179
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 `Sat Dec 16 00:24:21 GMT 2023` Edited by `admin` on `Sat Dec 16 00:24:21 GMT 2023`
Record UNII	8N609W64JZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SIGMODAL

Common Name

English

5-(2-BROMOALLYL)-5-(1-METHYLBUTYL) BARBITURIC ACID

Systematic Name

English

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2-BROMO-2-PROPEN-1-YL)-5-(1-METHYLBUTYL)-

Systematic Name

English

Code System Code Type Description

CAS

1216-40-6

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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EPA CompTox

DTXSID90874338

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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FDA UNII

8N609W64JZ

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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PUBCHEM

14630

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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WIKIPEDIA

SIGMODAL

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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ECHA (EC/EINECS)

214-932-2

Created by admin on Sat Dec 16 00:24:21 GMT 2023 , Edited by admin on Sat Dec 16 00:24:21 GMT 2023

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