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Metofenazate difumarate

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Name

Metofenazate difumarate

EINECS N/A
CAS No. 522-23-6 Density 1.248g/cm3
PSA 238.21000 LogP 5.19760
Solubility N/A Melting Point N/A
Formula C31H36ClN3O5S•C8H4O8 Boiling Point 694.7°Cat760mmHg
Molecular Weight 826.33 Flash Point 374°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits very toxic fumes of Cl, SOx, and NOx. See also ESTERS. Risk Codes N/A
Molecular Structure Molecular Structure of 522-23-6 (2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate di[(2E)-but-2-enedioate]) Hazard Symbols N/A
Synonyms

N/A

 

Metofenazate difumarate Chemical Properties

Following is the structure of Metofenazate difumarate (CAS NO.522-23-6):
               
IUPAC Name: (E)-but-2-Enedioic acid ; 2-[4-[3-(2-Chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl-3,4,5-trimethoxybenzoate
Molecular Formula: C39H44ClN3O13S
Molecular Weight of Metofenazate difumarate (CAS NO.522-23-6): 830.29696 g/mol
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=C(SC5=CC=CC=C35)C=CC(=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,19-21H,6,11-18H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
InChIKey: ZDTAJBBRWBBHSZ-LVEZLNDCSA-N

Metofenazate difumarate Toxicity Data With Reference

1.    

orl-rat LD50:1635 mg/kg

    KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),503.
2.    

ipr-rat LD50:939 mg/kg

    KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),503.
3.    

scu-rat LDLo:2560 mg/kg

    KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),503.
4.    

orl-mus LD50:580 mg/kg

    KSRNAM    Kiso to Rinsho. Clinical Report. 4 (1970),503.
5.    

ipr-mus LD50:150 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,30.
6.    

scu-mus LD50:142 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,30.
7.    

ivn-mus LD50:90 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,30.

Metofenazate difumarate Safety Profile

Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately is toxic by ingestion. An experimental teratogen. When heated to decomposition, Metofenazate difumarate (CAS NO.522-23-6) emits very toxic fumes of Cl, SOx, and NOx. See also ESTERS.

Metofenazate difumarate Specification

 Metofenazate difumarate , its cas register number is 522-23-6. It also can be called Frenolon ; Methophenazate acid fumarate ; Phrenolon ; T-82 difumarate ; and T2 difumarate . Its classification code are Drug / Therapeutic Agent and Reproductive Effect.

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