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1088-11-5

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Basic Information
CAS No.: 1088-11-5
Name: Nordazepam
Article Data: 95
Molecular Structure:
Molecular Structure of 1088-11-5 (Nordazepam)
Formula: C15H11ClN2O
Molecular Weight: 270.718
Synonyms: 1-Demethyldiazepam;7-Chloro-1,3-dihydro-1H-5-phenyl-2H-1,4-benzodiazepin-2-one;7-Chloro-1,3-dihydro-5-phenyl-1,4-benzodiazepin-2-one;7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazapin-2-one;7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one;7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one;7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;7-Chloro-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one;7-Chloro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one;7-Chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one;7-Chloro-5-phenyl-2-oxo-1,2-dihydro-1,4-benzodiazepine;7-Chloro-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one;Calmday;DMDZ;Dealkylprazepam;Demethyldiazepam;Demoxazepam;Desalkylprazepam;Desmethyldiazepam;Madar;N-Demethyldiazepam;N-Deoxydemoxepam;N-Descyclopropylmethylprazepam;N-Desmethyldiazepam;N1-Desmethyldiazepam;NSC 46078;NSC 631619;Nordaz;Norprazepam;Praxadium;Ro 5-2180;Stilny;
EINECS: 214-123-4
Density: 1.323 g/cm3
Melting Point: 208-210°C
Boiling Point: 453.103 °C at 760 mmHg
Flash Point: 227.829 °C
Appearance: Off-white solid
Hazard Symbols: HarmfulXn,ToxicT,FlammableF
Risk Codes: 22-39/23/24/25-23/24/25-11
Safety: 7-16-36/37-45
Transport Information: UN 3249
PSA: 41.46000
LogP: 2.70310
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Chemistry

IUPAC Name: 7-Chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Formula: C15H11ClN2O
Molar mass: 270.7136 g/mol
EINECS: 214-123-4
Molar Refractivity: 75.58 cm3
Molar Volume: 204.5 cm3
Density: 1.32 g/cm3
Flash Point: 227.8 °C
Index of Refraction: 1.66
Boiling Point: 453.1 °C at 760 mmHg
Vapour Pressure: 2.12E-08 mmHg at 25 °C
Melting point: 208-210°C
Storage temp: 2-8 °C
Appearance: Off-white solid
Product categories: API; metabolites and impurities; neurotransmitter
Structure of Nordazepam (CAS NO.1088-11-5):

XLogP3-AA: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 2
SMILES: Clc3cc\1c(NC(=O)C/N=C/1c2ccccc2)cc3 
InChI: InChI=1/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) 
InChIKey: AKPLHCDWDRPJGD-UHFFFAOYAK 
Std. InChI: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) 
Std. InChIKey: AKPLHCDWDRPJGD-UHFFFAOYSA-N

Uses

 Nordazepam (CAS NO.1088-11-5) can be used as hypnotics Alprazolam intermediate.It is the primary metabolite of Diazepam ,and is a ligand for the GABAA receptor benzodiazepine modulatory site. This is a controlled drug precursor therefore a liscence may be required for purchase.

Production

 Nordazepam (CAS NO.1088-11-5) can be derived from the reaction of 5 - Chloro -2 - (chloro-acetyl-amino) benzophenone with Hexamethylene tetramine in alkaline conditions.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 241, 1978.
mouse LD50 intraperitoneal 290mg/kg (290mg/kg) BEHAVIORAL: ANTICONVULSANT European Journal of Pharmacology. Vol. 16, Pg. 311, 1971.
mouse LD50 oral 670mg/kg (670mg/kg) BEHAVIORAL: ANTICONVULSANT European Journal of Pharmacology. Vol. 4, Pg. 467, 1968.
rat LD intraperitoneal > 2gm/kg (2000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 241, 1978.
rat LD oral > 4gm/kg (4000mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 241, 1978.
rat LD subcutaneous > 2gm/kg (2000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 241, 1978.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. An experimental teratogen. Mutation data reported. A tranquilizer. When heated to decomposition it emits very toxic fumes of NOx and Cl
Hazard Codes: HarmfulXn,ToxicT,FlammableF
Risk Statements: 22-39/23/24/25-23/24/25-11 
R11:Highly flammable. 
R22:Harmful if swallowed. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R39:Danger of very serious irreversible effects.
Safety Statements: 7-16-36/37-45 
S7:Keep container tightly closed. 
S16:Keep away from sources of ignition. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3249
WGK Germany: 3
RTECS: DF1750000
HazardClass: 6.1(b)
PackingGroup: III

Specification

 Nordazepam (CAS NO.1088-11-5) also can be called Vegesan ; Dealkylprazepam ; Nordazepam ; Calmday ; Desmethyldiazepam ; Vegesan ; Demadar ; 3H-1,4-Benzodiazepin-2-ol, 7-chloro-5-phenyl- ; 1-Demethyldiazepam ; 7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one ; and ; 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl- .