Basic information
- CAS
102771-12-0- Standard SMILES
COc1cc2c(cc1OC)C(c1ccc(N)cc1)=NN=C(C)C2- InChIKey
WWQDEXGFYVSTCX-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.14772686
Overview
Nerisopam is a small molecule drug. Nerisopam has a monoisotopic molecular weight of 309.15 Da.
Names & identifiers
- Preferred name
- Nerisopam
- IUPAC
- 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline
- English name
- Nerisopam
- Molecular formula
- C18H19N3O2
- Molecular weight
- 309.36
Names & synonyms
Nerisopam102771-12-0EGIS-6775GYKI-523221-(4-Aminophenyl)-4-methyl-7,8-dimethoxy-5H-2,3-benzodiazepineEGIS6775GYKI5232218Q4O339AGDTXSID90145499nerisopamumGYKI 52 322RefChem:165499
Show more names
Nerisopam, 10 mM in DMSOBenzenamine, 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)-
DTXCID3067990Nerisopam [INN]4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline1-(p-Aminophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepineGyki 52322Benzenamine, 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)-;Benzenamine, 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)-UNII-18Q4O339AG1-(4-Aminophenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Database identifiers
- CAS
102771-12-0- PubChem CID
- 65875
- DTXSID
DTXSID90145499- ChEMBL
CHEMBL2104732- UNII
- 18Q4O339AG
- Nikkaji
- J554.933G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 475.4 · 475.4±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.20(Predicted)
- FDA UNII
- 18 Q4O339AG · 18Q4O339AG
Chemistry & industry
Applications
UsesNerisopam is an orally active gamma-aminobutyric acid (GABA) receptor agonist. Nerisopam is an anxiolytic and antipsychotic homophthalazine. Nerisopam induces rapid, intense expression of Fos-like immunoreactivity in the rostral, dorsomedial and lateral parts of the striatum in the rat[1].
Suppliers7 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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