Basic information
- CAS
5714-09-0- Standard SMILES
CCOC(=O)COC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I- InChIKey
BZHSRUIDLJDTTJ-UHFFFAOYSA-N- Molecular formula
- C15H15I3N2O6
- Average molar mass
- 700 g/mol
- Monoisotopic mass
- 699.8064
Names & identifiers
- Preferred name
- Ethyl Cartrizoate
- IUPAC
- (2-ethoxy-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoate
- English name
- Ethyl cartrizoate
- Molecular formula
- C15H15I3N2O6
- Molecular weight
- 700
Names & synonyms
Ethyl cartrizoate5714-09-0Ethyl cartrizoate [INN]UNII-8FVI4DU91L8FVI4DU91Lcartrizoate d'ethylecartrizoato de etiloDTXSID40205774(3,5-Diacetamido-2,4,6-triiodobenzoyloxy)acetic acid ethylester(3,5-DIACETAMIDO-2,4,6-TRIIODOBENZOYLOXY)ACETIC ACID ETHYL ESTERethylis cartrizoasRefChem:138890
Show more names
(2-ethoxy-2-oxo-ethyl) 3,5-diacetamido-2,4,6-triiodo-benzoate3,5-diacetamido-2,4,6-triiodo-benzoic acid (2-ethoxy-2-keto-ethyl) esterBenzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, 2-ethoxy-2-oxoethyl ester
DTXCID70128265(2-ethoxy-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoateorb2815736SCHEMBL2110540CHEMBL2104278BZHSRUIDLJDTTJ-UHFFFAOYSA-NNS00120590T201970
Database identifiers
- CAS
5714-09-0- PubChem CID
- 208939
- DTXSID
DTXSID40205774- ChEMBL
CHEMBL2104278- UNII
- 8FVI4DU91L
- Nikkaji
- J2.460.080G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Melting point
- 269.5 · 269.5-270.5 °C (decomp)
- Boiling point
- 683.8 · 683.8±55.0 °C(Predicted)
- Density
- 2.238 · 2.238±0.06 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.70(Predicted)
- FDA UNII
- 8 FVI4DU91L · 8FVI4DU91L
Chemistry & industry
Suppliers5 total
HONEST JOY HOLDINGS LIMITED[email protected]
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
5 records
Compound notes
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