Benzoic acid, 3,3'-(suberoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-

HCID 33221

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 25903-30-4
Standard SMILES: CCCC(=O)NCc1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(CNC(=O)CCC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I
InChIKey: MRHTZPNCRQXRHS-UHFFFAOYSA-N
Molecular formula: C32H36I6N4O8
Average molar mass: 1,366.1 g/mol
Monoisotopic mass: 1,365.6801

Names & identifiers

Preferred name: Benzoic acid, 3,3'-(suberoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
IUPAC: 3-[(butanoylamino)methyl]-5-[[8-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid

Names & synonyms

25903-30-4BENZOIC ACID, 3,3'-(SUBEROYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-3,3'-Suberoyldiiminobis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid)DTXSID20180570RefChem:326966DTXCID601030613,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid]

Database identifiers

CAS: 25903-30-4
PubChem CID: 33221
DTXSID: DTXSID20180570
Nikkaji: J83.518H

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 191 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 19
Heavy atoms: 50
Formal charge: 0
Complexity: 1,100

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…