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3047556-95-3

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3047556-95-3 Structure

3047556-95-3 Structure
IdentificationBack Directory
[Name]

1H-Indole-2-carboxamide, 1-[(1S,2S)-1-[(Z)-amino(hydroxyimino)methyl]-2-methylcyclopropyl]-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
[CAS]

3047556-95-3
[Synonyms]

Orforglipron Impurity 45
1-[(1S,2S)-1-[(Z)-amino(hydroxyimino)methyl]-2-methylcyclopropyl]-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-1H-Indole-2-carboxamide
1H-Indole-2-carboxamide, 1-[(1S,2S)-1-[(Z)-amino(hydroxyimino)methyl]-2-methylcyclopropyl]-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-
[Molecular Formula]

C28H34N4O3
[MOL File]

3047556-95-3.mol
[Molecular Weight]

474.6
Chemical PropertiesBack Directory
[Boiling point ]

660.749±65.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.277±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[pka]

14.657±0.40(predicted)
[InChI]

InChI=1S/C28H34N4O3/c1-18-16-28(18,26(29)30-34)32-23-11-10-19(20-12-13-35-27(2,3)17-20)14-21(23)15-24(32)25(33)31(4)22-8-6-5-7-9-22/h5-11,14-15,18,20,34H,12-13,16-17H2,1-4H3,(H2,29,30)/t18-,20-,28-/m0/s1
[InChIKey]

VZRFBYMHVGCVIH-HPOQMBEDSA-N
[SMILES]

C(/[C@]1(N2C(=CC3=CC([C@H]4CCOC(C4)(C)C)=CC=C23)C(=O)N(C2C=CC=CC=2)C)C[C@@H]1C)(\N)=N\O
Hazard InformationBack Directory
[Uses]

1H-Indole-2-carboxamide, 1-[(1S,2S)-1-[(Z)-amino(hydroxyimino)methyl]-2-methylcyclopropyl]-N-methyl-N-phenyl-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-used as an impurity reference standard for Orforglipron.
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