Basic information
- CAS
5571-65-3- Standard SMILES
CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
PMOYAPWQLZTKJB-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0872908
Names & identifiers
- Preferred name
- 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
- IUPAC
- 7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
- English name
- N-Ethylnordiazepam
- Molecular formula
- C17H15ClN2O
- Molecular weight
- 298.77
Names & synonyms
5571-65-3DTXSID008781251,4-BENZODIAZP2-ON,1-ET-5-PH-7CLRefChem:220060DTXCID601016185N-Desmethyl-N-ethyl Diazepam1,4-Benzodiazepin-2(1H,3H)-one, 7-chloro-1-ethyl-5-phenyl-7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-oneN- EthylnordiazepamCHEMBL316420SCHEMBL53558867-Chloro-1-ethyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
Show more names
N-Ethylnordiazepam7-Chloro-1-ethyl-5-(phenyl)-1H-1,4-benzodiazepin-2(3H)-one7-Chloro-1-ethyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1-ethyl-1,3-dihydro-5-phenyl-
7-Chloro-1-ethyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-oneFD213637-Chloro-1-ethyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Chloro-1-ethyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #7-Chloro-1-ethyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one7-Chloro-1-ethyl-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; 7-Chloro-1-ethyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one; N-Ethylnordiazepam;
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
LogP3.21
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA metabolite of Diazepam (D416855).
Suppliers2 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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