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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20ClN3.C11H22O2
Molecular Weight 512.126
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLEMIZOLE UNDECYLATE

SMILES

CCCCCCCCCCC(O)=O.ClC1=CC=C(CN2C(CN3CCCC3)=NC4=CC=CC=C24)C=C1

InChI

InChIKey=WVZNTANSGMGXOL-UHFFFAOYSA-N
InChI=1S/C19H20ClN3.C11H22O2/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-2-3-4-5-6-7-8-9-10-11(12)13/h1-2,5-10H,3-4,11-14H2;2-10H2,1H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C19H20ClN3
Molecular Weight 325.835
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H22O2
Molecular Weight 186.2912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:53:19 UTC 2023
Edited
by admin
on Fri Dec 15 16:53:19 UTC 2023
Record UNII
6K5XAP3A37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLEMIZOLE UNDECYLATE
JAN   WHO-DD  
Common Name English
CLEMIZOLE UNDECANOATE
Common Name English
Clemizole undecanoate [WHO-DD]
Common Name English
CLEMIZOLE UNDECYLATE [JAN]
Common Name English
1H-BENZIMIDAZOLE, 1-((4-CHLOROPHENYL)METHYL)-2-(1-PYRROLIDINYLMETHYL)-, MONOUNDECANOATE
Systematic Name English
Clemizole undecylate [WHO-DD]
Common Name English
CLEMIZOLE UNDECYLENATE
WHO-DD  
Common Name English
Clemizole undecylenate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
263-276-3
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
FDA UNII
6K5XAP3A37
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID10210830
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
EVMPD
SUB01337MIG
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
CAS
61853-30-3
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
NCI_THESAURUS
C97695
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
SMS_ID
100000087931
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
PUBCHEM
656650
Created by admin on Fri Dec 15 16:53:19 UTC 2023 , Edited by admin on Fri Dec 15 16:53:19 UTC 2023
PRIMARY
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ACTIVE MOIETY