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1589503-97-8

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1589503-97-8 Structure

1589503-97-8 Structure
IdentificationBack Directory
[Name]

Chemtrue-RL-N5
[CAS]

1589503-97-8
[Synonyms]

Chemtrue-RL-N5
Relugolix intermediate4
2-[(2,6-Difluorobenzyl)ethoxycarbonylamino]-4-((dimethylamino)methyl)-5-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester
3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[(dimethylamino)methyl]-5-(4-nitrophenyl)-, ethyl ester
[EINECS(EC#)]

854-336-5
[Molecular Formula]

C26H27F2N3O6S
[MDL Number]

MFCD34179895
[MOL File]

1589503-97-8.mol
[Molecular Weight]

547.57
Chemical PropertiesBack Directory
[Boiling point ]

663.0±55.0 °C(Predicted)
[density ]

1.333±0.06 g/cm3(Predicted)
[pka]

7.75±0.28(Predicted)
[InChIKey]

RXZAFTDZUPTIRJ-UHFFFAOYSA-N
[SMILES]

C1(N(CC2=C(F)C=CC=C2F)C(OCC)=O)SC(C2=CC=C([N+]([O-])=O)C=C2)=C(CN(C)C)C=1C(OCC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H335-H315-H351-H319
[Precautionary statements ]

P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

Chemtrue-RL-N5 can be used as a pharmaceutical intermediate, primarily as Relugolix Impurity 5.
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