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Details

Stereochemistry ACHIRAL
Molecular Formula C34H37Cl3N4O4.ClH
Molecular Weight 708.502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-, monohydrochloride

SMILES

Cl.CCC(C)(C)C1=CC=C(OCC(=O)NC2=CC(=CC=C2)C(=O)NC3=NN(C(=O)C3)C4=C(Cl)C=C(Cl)C=C4Cl)C(=C1)C(C)(C)CC

InChI

InChIKey=WEJHFWWVWMMSQI-UHFFFAOYSA-N
InChI=1S/C34H37Cl3N4O4.ClH/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37;/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44);1H

HIDE SMILES / InChI

Molecular Formula C34H37Cl3N4O4
Molecular Weight 672.041
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 12:08:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:08:44 GMT 2023
Record UNII
L2L7VZV64E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzamide, 3-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-, monohydrochloride
Systematic Name English
Benzamide, 3-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
264-031-3
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
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FDA UNII
L2L7VZV64E
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
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CAS
63217-46-9
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
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EPA CompTox
DTXSID6069797
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
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PUBCHEM
173906
Created by admin on Sat Dec 16 12:08:44 GMT 2023 , Edited by admin on Sat Dec 16 12:08:44 GMT 2023
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