U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C9H12BrN2O2.Li
Molecular Weight 267.049
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMACIL-LITHIUM

SMILES

[Li+].CCC(C)N1C(=O)[N-]C(C)=C(Br)C1=O

InChI

InChIKey=VIMSQXDDXJYTLW-UHFFFAOYSA-M
InChI=1S/C9H13BrN2O2.Li/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14;/h5H,4H2,1-3H3,(H,11,13,14);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Li
Molecular Weight 6.941
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13BrN2O2
Molecular Weight 261.116
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 08:11:43 GMT 2023
Edited
by admin
on Sat Dec 16 08:11:43 GMT 2023
Record UNII
UYA13S4R4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMACIL-LITHIUM
ISO  
Common Name English
BROMACIL-LITHIUM [ISO]
Common Name English
BROMACIL LITHIUM SALT
Common Name English
2,4(1H,3H)-PYRIMIDINEDIONE, 5-BROMO-6-METHYL-3-(1-METHYLPROPYL)-, LITHIUM SALT (1:1)
Systematic Name English
LITHIUM BROMACIL
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 12302
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
Code System Code Type Description
ALANWOOD
bromacil-lithium
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-525-8
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID9034284
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY
PUBCHEM
18772494
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY
CAS
53404-19-6
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY
FDA UNII
UYA13S4R4X
Created by admin on Sat Dec 16 08:11:43 GMT 2023 , Edited by admin on Sat Dec 16 08:11:43 GMT 2023
PRIMARY