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CID 127910465 structure
CID 127910465 structure

CID 127910465

Iupac Name:5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CAS No.:831217-01-7
Molecular Weight:466.6
1. Names and Identifiers
1.1 Name
CID 127910465
1.2 Synonyms

1850377-11-5 N-Methyl-1-(1-methylcyclohexyl)methanesulfonamide

1.3 CAS No.
831217-01-7
1.4 CID
135566112
1.5 Molecular Formula
C16H33NO2 (isomer)
1.6 Inchi
InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)
1.7 InChkey
RRBRQNALHKQCAI-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C
1.9 Isomers Smiles
CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(CC4)CC)OCC)C
2. 3D Conformer
3. Properties
3.1 Melting Point
131-133°C
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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