1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile
Modify Date: 2025-08-20 12:49:26
1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile structure
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Common Name | 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile | ||
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| CAS Number | 3489-59-6 | Molecular Weight | 275.30500 | |
| Density | 1.19g/cm3 | Boiling Point | 525.6ºC at 760 mmHg | |
| Molecular Formula | C17H13N3O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 271.7ºC | |
| Name | 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.19g/cm3 |
|---|---|
| Boiling Point | 525.6ºC at 760 mmHg |
| Molecular Formula | C17H13N3O |
| Molecular Weight | 275.30500 |
| Flash Point | 271.7ºC |
| Exact Mass | 275.10600 |
| PSA | 56.46000 |
| LogP | 1.87268 |
| Index of Refraction | 1.641 |
| InChIKey | PMDUNHOOULGNCQ-UHFFFAOYSA-N |
| SMILES | CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21 |
| HS Code | 2933990090 |
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1-methyl-2-oxo-... CAS#:3489-59-6 |
| Literature: Hoffmann-La Roche Inc. Patent: US4327026 A1, 1982 ; |
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1-methyl-2-oxo-... CAS#:3489-59-6 |
| Literature: Yu, Shu; Ma, Chunrong; He, Xiaohui; McKernan, Ruth; Cook, James M. Medicinal Chemistry Research, 1999 , vol. 9, # 2 p. 71 - 88 |
| Precursor 3 | |
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| DownStream 0 | |
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Name: Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-2
External Id: CHEMBL681248
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Name: Taming activity in mouse assessed as suppression of electrical current-induced aggres...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285291
|
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Name: Binding affinity towards benzodiazepine/GABA A receptor.
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit theta
External Id: CHEMBL650082
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Name: Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alph...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-6
External Id: CHEMBL683045
|
|
Name: Muscle relaxant activity in mouse
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285290
|
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Name: Muscle relaxant activity in cat suspended by scruff of neck assessed as relaxation of...
Source: ChEMBL
Target: Felis catus
External Id: CHEMBL3285293
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|
Name: Anticonvulsion activity in mouse assessed as protection against pentylenetetrazole-in...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3285292
|
|
Name: Evaluation for the Anti-pentylenetetrazole effect.
Source: ChEMBL
Target: N/A
External Id: CHEMBL845339
|
|
Name: Compound was evaluated for the Anti-fighting behavior.
Source: ChEMBL
Target: N/A
External Id: CHEMBL845338
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| 7-cyano-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one |
| 1H-1,4-BENZODIAZEPINE-7-CARBONITRILE,2,3-DIHYDRO-1-METHYL-2-OXO-5-PHENYL |
| Ro 5-4528 |
| 2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile |
| 2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-7-carbonitrile |