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Milnacipran hydrochloride

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Name

Milnacipran hydrochloride

EINECS 200-659-6
CAS No. 101152-94-7 Density N/A
PSA 46.33000 LogP 3.27370
Solubility 19 mg/mL in water Melting Point 179-181 °C
Formula C15H23ClN2O Boiling Point 393 °C at 760 mmHg
Molecular Weight 282.813 Flash Point 191.5 °C
Transport Information UN 2811 6.1/PG 3 Appearance White crystalline powder
Safety 7-16-36/37-45 Risk Codes 22
Molecular Structure Molecular Structure of 101152-94-7 ((1R,2S)-rel-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide hydrochloride) Hazard Symbols HarmfulXn
Synonyms

Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, monohydrochloride, (1R,2S)-rel- (9CI);Milnacipran HCl;Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-,monohydrochloride, cis-;Dalcipran;F 2207;Ixel;Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, hydrochloride (1:1), (1R,2S)-rel-;Toledomin;

Article Data 28

Milnacipran hydrochloride History

 Milnacipran has been approved and sold in Austria since September 1998 under the brand name Ixel. Cypress Bioscience bought the exclusive rights for approval and marketing of the drug for any purpose in the US and Canada in 2003 from the manufacturer Pierre Fabre. In Chile, under the "Ixel" brand name is being sold by Silesia Laboratories. In Israel, milnacipran is distributed by Mediline Limited.
In January 2009 the U.S. Food and Drug Administration (FDA) approved milnacipran (under the brand name Savella) for the treatment of fibromyalgia, making it the third medication approved for this purpose in the United States.

Milnacipran hydrochloride Specification

1. Introduction of Milnacipran hydrochloride
Milnacipran hydrochloride is one kind of white crystalline powder. The IUPAC name of this chemical is (1R,2S)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide hydrochloride. It belongs to product categories of Chiral Reagents; Antibiotic Explorer; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical is a white crystalline powder and should be stored at the temperature of 2-8 °C. What's more, it is harmful if swallowed and may cause damage to health. The Classification Code of it is Drug / Therapeutic Agent; Reproductive Effect; Treatment of fibromyalgia. It is freely soluble in water, methanol, ethanol, chloroform, and methylene chloride and sparingly soluble in diethyl ether.

2. Properties of Milnacipran hydrochloride
Physical properties about Milnacipran hydrochloride are:
(1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): -1.86; (3)ACD/LogD (pH 7.4): -1.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 191.5 °C; (12)Enthalpy of Vaporization: 64.29 kJ/mol; (13)Boiling Point: 393 °C at 760 mmHg; (14)Vapour Pressure: 2.19E-06 mmHg at 25 °C.

3. Structure Descriptors of Milnacipran hydrochloride
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2.Cl
(2)Isomeric SMILES: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)C2=CC=CC=C2.Cl
(3)InChI: InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1
(4)InChIKey: XNCDYJFPRPDERF-PBCQUBLHSA-N
(5)Smiles: [C@]1([C@H](C1)CN)(C(=O)N(CC)CC)c1ccccc1.Cl

4. Toxicity of Milnacipran hydrochloride
The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LDLo oral 500mg/kg (500mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 3089, 1994.
rat LD50 intravenous 47100ug/kg (47.1mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 3089, 1994.
rat LD50 oral 213mg/kg (213mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Kiso to Rinsho. Clinical Report. Vol. 28, Pg. 3089, 1994.

5. Safety information of Milnacipran hydrochloride
Hazard Codes: Xn Xn
Risk Statements: 22
22: Harmful if swallowed.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: GZ1014010

6. Uses of Milnacipran hydrochloride
Milnacipran hydrochloride is an antidepressant. Milnacipran hydrochloride is a selective norepinephrine and serotonin reuptake inhibitor approved for the management of fibromyalgia.

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