Name: ACETOPHENAZINE MALEATE (200 MG)
SKU: 5714-00-1

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Basic Information

Molecular Structure:
CAS No.:	5714-00-1
Name:	ACETOPHENAZINE MALEATE (200 MG)

Formula:	C₂₃H₂₉N₃O₂S•2 C₄H₄O₄
Molecular Weight:	643.77
Synonyms:	1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-10h-phenothiazin-2-yl)eth;1-(2-hydroxyethyl)-4-(3-(2-acetyl-10-phenothiazinyl)propyl)piperazinedimalea;10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-ylmethylketon;2-acetyl-10-(3-(4-(beta-hydroxyethyl)piperazinyl)propyl)phenothiazinedimalea;acetophenazinemaleate;ketone,10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-ylmethyl;ketone,10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-ylmethyl,dimaleate;sch6673
Density:	g/cm³
Melting Point:	167-168.5°
Boiling Point:	608.7°Cat760mmHg
Flash Point:	321.9°C
Safety:	Poison by ingestion, intraperitoneal, and intravenous routes. Severe eye irritant. See also KETONES.
PSA:	146.92000
LogP:	3.14450

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Chemistry

Product Name: Acetophenazine maleate (CAS NO.5714-00-1)

Molecular Formula: C₂₃H₂₉N₃O₂S•2 C₄H₄O₄
Molecular Weight: 643.77g/mol
Mol File: 5714-00-1.mol
Boiling point: 608.7 °C at 760 mmHg
Flash Point: 321.9 °C
Enthalpy of Vaporization: 95.08 kJ/mol
Vapour Pressure: 1.14E-15 mmHg at 25°C
H-Bond Donor: 5
H-Bond Acceptor: 13
Structure Descriptors of Acetophenazine maleate (CAS NO.5714-00-1):
IUPAC Name: (Z)-but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
Canonical SMILES: CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey: NUKVZKPNSKJGBK-SPIKMXEPSA-N

Toxicity Data With Reference

1.	eye-rbt 112 mg SEV	AMIHAB AMA Archives of Industrial Health. 14 (1956),250.
2.	orl-rat LD50:415 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,11.
3.	ipr-rat LD50:60 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,11.
4.	ivn-rat LD50:39 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,11.
5.	ivn-mus LD50:71 mg/kg	CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01100 .
6.	orl-bwd LD50:75 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315.

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. Severe eye irritant. See also KETONES.

Specification

Acetophenazine maleate , its CAS NO. is 5714-00-1, the synonyms are 1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)ethanone ; 1-(2-Hydroxyethyl)-4-(3-(2-acetyl-10-phenothiazinyl)propyl)piperazine dimaleate ; 10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone dimaleate ; 2-Acetyl-10-(3-(4-(beta-hydroxyethyl)piperazinyl)propyl)phenothiazine dimaleate ; Acetophenazine dimaleate ; EINECS 227-202-3 ; Ethanone, 1-(10-(3(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)-, (Z) 2-butenedioate (1:2) (salt) ; Phentoxate ; Tindal maleate ; Tindala ; UNII-3P5HNU5JTC ; Ketone, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl, dimaleate .