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1977-11-3

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Basic Information
CAS No.: 1977-11-3
Name: perlapine
Molecular Structure:
Molecular Structure of 1977-11-3 (perlapine)
Formula: C19H21 N3
Molecular Weight: 291.396
Synonyms: Morphanthridine,6-(4-methyl-1-piperazinyl)- (7CI,8CI);6-(4-Methyl-1-piperazinyl)morphanthridine; AW 142333; HF 2333; Hypnodin; MP 11;NSC 291840; Perlapine
Density: 1.16g/cm3
Melting Point: 136-138°
Boiling Point: 437°Cat760mmHg
Flash Point: 218.1°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. A hypnotic agent. When heated to decomposition it emits toxic fumes of NOx.
PSA: 18.84000
LogP: 2.22790
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Chemistry

Molecular Structure of Hypnodin (CAS NO. 1977-11-3):

IUPAC Name: 6-(4-Methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine 
Molecular Formula: C19H21N3
Molecular Weight: 291.390140 g/mol
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=CC=CC=C42
InChI: InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3
InChIKey: PWRPUAKXMQAFCJ-UHFFFAOYSA-N
Index of Refraction: 1.646
Molar Refractivity: 90.69 cm3
Molar Volume: 249.8 cm3
Surface Tension: 45.6 dyne/cm
Density: 1.16 g/cm3
Flash Point: 218.1 °C
Enthalpy of Vaporization: 69.35 kJ/mol
Boiling Point: 437 °C at 760 mmHg
Vapour Pressure: 7.74E-08 mmHg at 25 °C
Water Solubility: 35.09 mg/L at 25 °C
BRN of Hypnodin (CAS NO. 1977-11-3): 0434631

Toxicity Data With Reference

1.    

orl-rat LD50:660 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),193.
2.    

scu-rat LD50:420 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),193.
3.    

ivn-rat LD50:60 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),193.
4.    

orl-mus LD50:270 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),770.
5.    

scu-mus LD50:250 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),193.
6.    

ivn-mus LD50:61 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),193.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. A hypnotic agent. When heated to decomposition it emits toxic fumes of NOx.

Specification

  Hypnodin with cas registry number of 1977-11-3 is known as 11H-Dibenz(b,e)azepine, 6-(4-methyl-1-piperazinyl)- ; 5-23-03-00089 (Beilstein Handbook Reference) ; 6-(4-Methyl-1-piperazinyl)-11H-dibenz(b,e)azepine ; 6-(4-Methyl-1-piperazinyl)morfantridin ; 6-(4-Methyl-1-piperazinyl)morphanthridine ; AW-14'2333 ; HF-2333 ; Hypnodin ; MP-11 ; Morphanthridine, 6-(4-methyl-1-piperazinyl)- ; Morphanthridine, 6-(4-methyl-1-piperazinyl)- (8CI) ; NSC 291840 ; Perlapine ; Perlapine [USAN:INN:BAN:JAN] ; Perlapin ; Perlapina ; Perlapina [INN-Spanish] ; Perlapina [Spanish] ; Perlapinum ; Perlapinum [INN-Latin] ; UNII-4N8UJJ27IM .