Basic information
- CAS
57435-86-6- Standard SMILES
Cc1c2c(cn1C)NC(=O)CN=C2c1ccccc1- InChIKey
CNWSHOJSFGGNLC-UHFFFAOYSA-N- Molecular formula
- C15H15N3O
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.12151211
Overview
Premazepam is a small molecule drug. The usage of the INN stem '-azepam' in the name indicates that Premazepam is a diazepam derivative. Premazepam has a monoisotopic molecular weight of 253.12 Da.
Names & identifiers
- Preferred name
- Premazepam
- IUPAC
- 6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
- English name
- Premazepam
- Molecular formula
- C15H15N3O
- Molecular weight
- 253.3
Names & synonyms
Premazepam57435-86-6PremazepamumOI7443PDLBNSC-290940DTXSID602060263,7-dihydro-5-phenyl-6,7-dimethylpyrrole(3,4-e)(1,4)diazepin-2-(1H)-oneRefChem:175869DTXCID601285176,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-oneNSC2909403,7-Dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one
Show more names
MDL-181(Z)-6,7-dimethyl-5-phenylpyrrolo[3,4-e][1,4]diazepin-2(1H,3H,7H)-one3,7-Dihydro-6,7-dimethyl-5-phenylpyrrolo[3,4-e]-1,4-diazepin-2(1H)-onePyrrolo[3,4-e]-1,4-diazepin-2(1H)-one,3,7-dihydro-6,7-diMethyl-5-phenyl-
Premazepamum [INN-Latin]6,7-Dimethyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-oneMDL 181Premazepam [INN:BAN]UNII-OI7443PDLBNSC 290940BRN 06174353,7-dihydro-6,7-dimethyl-5-phenylpyrrolo[3,4-e][1,4]diazepin-2(1H)-one
Database identifiers
- CAS
57435-86-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 270 °C · 270 °C (decomp)
- Boiling point
- 451.9 · 451.9±45.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.40(Predicted)
- FDA UNII
- 7443 PDLB · OI7443PDLB
Chemistry & industry
Applications
UsesPremazepam-d3, is the labeled analogue of Premazepam (P712650), acting as a partial agonist at benzodiazepine receptors. It has been shown to have both anxiolytic and sedative properties in human subjects.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
3 records
Compound notes
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