CAS No.37517-26-3,2-[1-[3-[2-[(dimethylamino)sulphonyl]-10H-phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl palmitate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37517-26-3
Name:	2-[1-[3-[2-[(dimethylamino)sulphonyl]-10H-phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl palmitate

Formula:	C₄₀H₆₃N₃O₄S₂
Molecular Weight:	714.09
Synonyms:	2-[1-[3-[2-[(Dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethanol Palmitate;IL 19552;Piportil L 4;Pipothiazine palmitate;Pipotiazine palmitate;Pipotiazinepalmitic ester;RP 19552;2-(1-{3-[2-(Dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)ethyl palmitate;10-[3-[4-(2-Hydroxyethyl)-1-piperidinyl]propyl]-N,N-dimethyl-10H-phenothiazine-2-sulfonamide Palmitate (Ester);
EINECS:	253-536-4
Density:	1.09 g/cm³
Melting Point:	61-63°C
Boiling Point:	773.4 °C at 760 mmHg
Flash Point:	421.5 °C
PSA:	103.84000
LogP:	11.14000

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Specification

The Hexadecanoic acid,2-[1-[3-[2-[(dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethylester, with the CAS registry number 37517-26-3, is also known as Pipotiazine palmitate. It belongs to the product categories of Organics; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. Its EINECS number is 253-536-4. This chemical's molecular formula is C₄₀H₆₃N₃O₄S₂ and molecular weight is 714.08. What's more, its systematic name is 2-(1-{3-[2-(dimethylsulfamoyl)-10H-phenothiazin-10-yl]propyl}piperidin-4-yl)ethyl hexadecanoate. Its classification code is Antipsychotic.

Physical properties of Hexadecanoic acid,2-[1-[3-[2-[(dimethylamino)sulfonyl]-10H-phenothiazin-10-yl]propyl]-4-piperidinyl]ethylester are: (1)ACD/LogP: 12.45; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.43; (4)ACD/LogD (pH 7.4): 10.58; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 135539.02; (8)ACD/KOC (pH 7.4): 1907542.38; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 103.84 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 207.33 cm³; (15)Molar Volume: 654.9 cm³; (16)Polarizability: 82.19×10^-24 cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 421.5 °C; (20)Enthalpy of Vaporization: 112.57 kJ/mol; (21)Boiling Point: 773.4 °C at 760 mmHg; (22)Vapour Pressure: 7.56E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=S(=O)(N(C)C)c2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCC(CCOC(=O)CCCCCCCCCCCCCCC)CC4
(2)InChI: InChI=1/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3
(3)InChIKey: KTOYYUONFQWSMW-UHFFFAOYAA