BENZOIC ACID, 3,3'-(PIMELOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-

3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid

CAS: 25903-29-1

Molecular Formula	`C31H34I6N4O8`
Molecular Weight	1352.0 g/mol
LogP	5.9
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	18
Exact Mass	1351.6646
Heavy Atoms	49
Complexity	1090.0

Chemical Identifiers

CAS Number	25903-29-1
SMILES	`CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I`
InChIKey	`CSEUCNSOUPZKGZ-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3,3'-(PIMELOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO- (CAS: 25903-29-1) is a chemical compound with molecular formula C31H34I6N4O8 and molecular weight 1352.0 g/mol. Its IUPAC systematic name is 3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid. LogP 5.9 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 18 Exact Mass 1351.6646 Heavy Atoms 49 Complexity 1090.0 InChI Key: CSEUCNSOUPZKGZ-UHFFFAOYSA-N. SMILES: CCCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CCC)I)I)C(=O)O)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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