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Ethyl 2-[2-[4-(allyloxy)-3-methoxyphenyl]-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate

HCID 5908930
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Basic information

CAS
609795-40-6
Standard SMILES
C=CCOc1ccc(C2/C(=C(\O)c3ccc(OCCCC)cc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1OC
InChIKey
DYDYAQODMVZXBO-IMVLJIQESA-N
Molecular formula
C32H34N2O8S
Average molar mass
606.7 g/mol
Monoisotopic mass
606.20358722

Names & identifiers

Preferred name
Ethyl 2-[2-[4-(allyloxy)-3-methoxyphenyl]-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate
IUPAC
ethyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-methoxy-4-prop-2-enoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
English name
SALOR-INT L433942-1EA
Molecular formula
C32H34N2O8S
Molecular weight
606.69

Names & synonyms

609795-40-6RefChem:593643ETHYL 2-(2-(4-(ALLYLOXY)-3-METHOXYPHENYL)-3-(4-BUTOXYBENZOYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATEethyl 2-[2-[4-(allyloxy)-3-methoxyphenyl]-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate646-983-5Ethyl 2-(2-(4-(allyloxy)-3-methoxyphenyl)-3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylateSALOR-INT L433942-1EA5-Thiazolecarboxylic acid, 2-[3-(4-butoxybenzoyl)-2,5-dihydro-4-hydroxy-2-[3-methoxy-4-(2-propen-1-yloxy)phenyl]-5-oxo-1H-pyrrol-1-yl]-4-methyl-, ethyl ester

Database identifiers

CAS
609795-40-6
PubChem CID
5908930
EC Number
646-983-5

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
153 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
43
Formal charge
0
Complexity
1,030

Physicochemical properties

Boiling point
726.7 · 726.7±70.0 °C(Predicted)
Density
1.288 · 1.288±0.06 g/cm3(Predicted)
pka
4.5 · 4.50±1.00(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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