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Details

Stereochemistry ACHIRAL
Molecular Formula C5H12N2O
Molecular Weight 116.1616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BUTYLUREA

SMILES

CCCCNC(N)=O

InChI

InChIKey=CNWSQCLBDWYLAN-UHFFFAOYSA-N
InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

HIDE SMILES / InChI

Molecular Formula C5H12N2O
Molecular Weight 116.1616
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of HIV-1 infection by alkylureas.
1991 Dec
Discovery of novel benzothiazolesulfonamides as potent inhibitors of HIV-1 protease.
2003 Nov 3
Chalcogens as terminal ligands to iron: synthesis and structure of complexes with Fe(III)-S and Fe(III)-Se motifs.
2004 Jun 2
Preclinical studies of alkylureas as anti-HIV-1 contraceptive.
2005
A quadruply hydrogen bonded heterocomplex displaying high-fidelity recognition.
2005 Dec 28
A highly stable quadruply hydrogen-bonded heterocomplex useful for supramolecular polymer blends.
2005 May 11
Synthesis and biological evaluation of homoserine lactone derived ureas as antagonists of bacterial quorum sensing.
2006 Jul 15
Specific modification of peptide-bound citrulline residues.
2006 May 1
Potent and selective small molecule NS3 serine protease inhibitors of Hepatitis C virus with dichlorocyclopropylproline as P2 residue.
2008 Feb 15
Novel synthesis of ureas: application of t-butylureas.
2010 Jan
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:30:26 GMT 2023
Edited
by admin
on Fri Dec 15 18:30:26 GMT 2023
Record UNII
9CPL5NR15K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BUTYLUREA
HSDB  
Systematic Name English
BUTYLUREA
Systematic Name English
UREA, BUTYL-
Systematic Name English
NSC-2597
Code English
N-BUTYLUREA [HSDB]
Common Name English
1-BUTYLUREA
Systematic Name English
UREA, N-BUTYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
11595
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
HSDB
5497
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
FDA UNII
9CPL5NR15K
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
NSC
2597
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-748-4
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID6020222
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY
CAS
592-31-4
Created by admin on Fri Dec 15 18:30:26 GMT 2023 , Edited by admin on Fri Dec 15 18:30:26 GMT 2023
PRIMARY