Basic information
- CAS
96487-37-5- Standard SMILES
CN1CCC(C(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1- InChIKey
HPKYRXAEGNUARA-UHFFFAOYSA-N- Molecular formula
- C19H20N4O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15862589
Overview
Nuvenzepine is a small molecule drug. The usage of the INN stem '-zepine' in the name indicates that Nuvenzepine is a tricyclic compound. Nuvenzepine has a monoisotopic molecular weight of 336.16 Da.
Names & identifiers
- Preferred name
- Nuvenzepine
- IUPAC
- 11-(1-methylpiperidine-4-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
- English name
- Nuvenzepine
- Molecular formula
- C19H20N4O2
- Molecular weight
- 336.39
Names & synonyms
Nuvenzepine96487-37-5NuvenzepinaNuvenzepinum8OMO7K4W74DTXSID50242276RefChem:166974DTXCID50164767DF-54511-(N-methylisonipecotyl)-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneNuvenzepine [INN]11-(1-methylpiperidine-4-carbonyl)-6,11-dihydro-5H-benzo[b]pyrido[2,3-e][1,4]diazepin-5-one
Show more names
K-5456,11-Dihydro-11-[(1-methyl-4-piperidinyl)carbonyl]-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-11-[(1-methyl-4-piperidinyl)carbonyl]-
11-(1-methylpiperidine-4-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-oneSCHEMBL1817515HY-U001196,11-Dihydro-11-(1-methylisonipecotoyl)-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneQ27270829Nuvenzepinum [INN-Latin]Nuvenzepina [INN-Spanish]UNII-8OMO7K4W74
Database identifiers
- CAS
96487-37-5- PubChem CID
- 65846
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Boiling point
- 522.3 · 522.3±50.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 10.99 · 10.99±0.20(Predicted)
- color
- White to off-white
- FDA UNII
- 8 OMO7K4W74 · 8OMO7K4W74
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海藜筠生物科技有限公司13119135307
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…