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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H8BrN3O4
Molecular Weight 278.06
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMO-WILLARDIINE

SMILES

N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O

InChI

InChIKey=AEKIJKSVXKWGRJ-BYPYZUCNSA-N
InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H8BrN3O4
Molecular Weight 278.06
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:04 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:04 GMT 2023
Record UNII
QGW9M0L9SJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMO-WILLARDIINE
Common Name English
1(2H)-PYRIMIDINEPROPANOIC ACID, .ALPHA.-AMINO-5-BROMO-3,4-DIHYDRO-2,4-DIOXO-, (.ALPHA.S)-
Systematic Name English
5-BROMOWILLARDIINE
Common Name English
(2S)-2-AMINO-3-(5-BROMO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00941545
Created by admin on Sat Dec 16 11:46:04 GMT 2023 , Edited by admin on Sat Dec 16 11:46:04 GMT 2023
PRIMARY
DRUG BANK
DB04000
Created by admin on Sat Dec 16 11:46:04 GMT 2023 , Edited by admin on Sat Dec 16 11:46:04 GMT 2023
PRIMARY
PUBCHEM
167842
Created by admin on Sat Dec 16 11:46:04 GMT 2023 , Edited by admin on Sat Dec 16 11:46:04 GMT 2023
PRIMARY
CAS
19772-78-2
Created by admin on Sat Dec 16 11:46:04 GMT 2023 , Edited by admin on Sat Dec 16 11:46:04 GMT 2023
PRIMARY
FDA UNII
QGW9M0L9SJ
Created by admin on Sat Dec 16 11:46:04 GMT 2023 , Edited by admin on Sat Dec 16 11:46:04 GMT 2023
PRIMARY