BRN 2800795

3-[[10-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid

CAS: 25901-42-2

Molecular Formula	`C32H36I6N4O8`
Molecular Weight	1366.1 g/mol
LogP	6.8
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	19
Exact Mass	1365.68
Heavy Atoms	50
Complexity	1100.0

Chemical Identifiers

CAS Number	25901-42-2
SMILES	`CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I`
InChIKey	`RTGZXDFMZAIPEP-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800795 (CAS: 25901-42-2) is a chemical compound with molecular formula C32H36I6N4O8 and molecular weight 1366.1 g/mol. Its IUPAC systematic name is 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid. LogP 6.8 Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 19 Exact Mass 1365.68 Heavy Atoms 50 Complexity 1100.0 InChI Key: RTGZXDFMZAIPEP-UHFFFAOYSA-N. SMILES: CCC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)CNC(=O)CC)I)I)C(=O)O)I.

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