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Details

Stereochemistry RACEMIC
Molecular Formula C4H7Cl3N2O2
Molecular Weight 221.47
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MECLORALUREA

SMILES

CNC(=O)NC(O)C(Cl)(Cl)Cl

InChI

InChIKey=BULMIDNYAWYAMZ-UHFFFAOYSA-N
InChI=1S/C4H7Cl3N2O2/c1-8-3(11)9-2(10)4(5,6)7/h2,10H,1H3,(H2,8,9,11)

HIDE SMILES / InChI

Molecular Formula C4H7Cl3N2O2
Molecular Weight 221.47
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Information in the literature related to the biological and/or pharmacological application of mecloralurea is absent. It is mentioned, that this compound is toxic if it’s if swallowed and it belongs to anxiolytic compounds.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:56:03 GMT 2023
Edited
by admin
on Sat Dec 16 17:56:03 GMT 2023
Record UNII
9QXZ0A5J81
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MECLORALUREA
INN   MI  
INN  
Official Name English
mecloralurea [INN]
Common Name English
HERALDIUM
Brand Name English
LIGERIUM
Brand Name English
UREA, N-METHYL-N'-(2,2,2-TRICHLORO-1-HYDROXYETHYL)-
Systematic Name English
1-METHYL-3-(2,2,2-TRICHLORO-1-HYDROXYETHYL)UREA
Systematic Name English
MECLORALUREA [MI]
Common Name English
TRICHLOROETHYLOLMETHYLUREA
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C83912
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
MERCK INDEX
m299
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY Merck Index
DRUG CENTRAL
3767
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-786-8
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
MESH
C002923
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
PUBCHEM
71808
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
CAS
1954-79-6
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
EVMPD
SUB08682MIG
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID2046383
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
FDA UNII
9QXZ0A5J81
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
INN
2442
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
SMS_ID
100000081759
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
ChEMBL
CHEMBL1902645
Created by admin on Sat Dec 16 17:56:04 GMT 2023 , Edited by admin on Sat Dec 16 17:56:04 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
RACEMATE -> ENANTIOMER
Related Record Type Details
ACTIVE MOIETY