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60479-97-2

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Basic Information
CAS No.: 60479-97-2
Name: 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}butan-1-one (2Z)-but-2-enedioate
Molecular Structure:
Molecular Structure of 60479-97-2 (1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}butan-1-one (2Z)-but-2-enedioate)
Formula: C21H26N2OS•C4H4O4
Molecular Weight: 470.63
Density: g/cm3
Boiling Point: 517.8°Cat760mmHg
Flash Point: 267°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of SOx and NOx.
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Chemistry

IUPAC Name: (Z)-But-2-enedioic acid; 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]butan-1-one
Synonyms of Butyrylpromazine maleate (CAS NO.60479-97-2): 1-(10-(3-(Dimethylamino)propyl)phenothiazin-2-yl)-1-butanone maleate ; Phenothiazine, 2-butyryl-10-(3-dimethylaminopropyl)-, maleate ; 1-Butanone, 1-(10-(3-(dimethylamino)propyl)-10H-phenothiazin-2-yl)-, (Z)-2-butenedioate (1:1) ; 1-Butanone, 1-(10-(3-(dimethylamino)propyl)phenothiazin-2-yl)-, maleate
InChI: InChI=1/C21H26N2OS.C4H4O4/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21;5-3(6)1-2-4(7)8/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: VXJXLPVDCAXFRR-BTJKTKAUBO
Std. InChI: InChI=1S/C21H26N2OS.C4H4O4/c1-4-8-19(24)16-11-12-21-18(15-16)23(14-7-13-22(2)3)17-9-5-6-10-20(17)25-21;5-3(6)1-2-4(7)8/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Std. InChIKey: VXJXLPVDCAXFRR-BTJKTKAUSA-N
CAS NO: 60479-97-2
Molecular Formula: C25H30N2O5S
Molecular Weight: 470.5811
Molecular Structure :
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 48.85 Å2
Flash Point: 267 °C
Enthalpy of Vaporization: 79.02 kJ/mol
Boiling Point: 517.8 °C at 760 mmHg
Vapour Pressure: 7.91E-11 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 73mg/kg (73mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 78, 1959.
mouse LD50 subcutaneous 190mg/kg (190mg/kg)   Psychopharmacology Service Center, Bulletin. Vol. 2, Pg. 17, 1963.
rat LD50 oral 300mg/kg (300mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 78, 1959.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When Butyrylpromazine maleate (CAS NO.60479-97-2) is heated to decomposition, it emits toxic fumes of SOx and NOx.