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Details

Stereochemistry MIXED
Molecular Formula C40H51N7O5
Molecular Weight 709.8768
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(2-ETHYLHEXYL) 4,4'-((6-((4-CARBAMOYLPHENYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(AZANEDIYL))DIBENZOATE

SMILES

CCCCC(CC)COC(=O)C1=CC=C(NC2=NC(NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)=NC(NC4=CC=C(C=C4)C(N)=O)=N2)C=C1

InChI

InChIKey=MDWYBVBVHWJKLP-UHFFFAOYSA-N
InChI=1S/C40H51N7O5/c1-5-9-11-27(7-3)25-51-36(49)30-15-21-33(22-16-30)43-39-45-38(42-32-19-13-29(14-20-32)35(41)48)46-40(47-39)44-34-23-17-31(18-24-34)37(50)52-26-28(8-4)12-10-6-2/h13-24,27-28H,5-12,25-26H2,1-4H3,(H2,41,48)(H3,42,43,44,45,46,47)

HIDE SMILES / InChI

Molecular Formula C40H51N7O5
Molecular Weight 709.8768
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:47 UTC 2023
Edited
by admin
on Sat Dec 16 10:37:47 UTC 2023
Record UNII
7B65YP9CEF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(2-ETHYLHEXYL) 4,4'-((6-((4-CARBAMOYLPHENYL)AMINO)-1,3,5-TRIAZINE-2,4-DIYL)BIS(AZANEDIYL))DIBENZOATE
Systematic Name English
ISCOTRIZINOL RELATED COMPOUND F [USP IMPURITY]
Common Name English
ISCOTRIZINOL RELATED COMPOUND F [USP-RS]
Common Name English
ISCOTRIZINOL DIESTER AMIDE ANALOG [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
154733491
Created by admin on Sat Dec 16 10:37:47 UTC 2023 , Edited by admin on Sat Dec 16 10:37:47 UTC 2023
PRIMARY
RS_ITEM_NUM
1193414
Created by admin on Sat Dec 16 10:37:47 UTC 2023 , Edited by admin on Sat Dec 16 10:37:47 UTC 2023
PRIMARY
FDA UNII
7B65YP9CEF
Created by admin on Sat Dec 16 10:37:47 UTC 2023 , Edited by admin on Sat Dec 16 10:37:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY