[(1S,2R)-2-(Diethylcarbamoyl)-2-phenylcyclopropyl]methylazanium;chloride
Basic information
- CAS
101152-94-7- Standard SMILES
CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH3+].[Cl-]- InChIKey
XNCDYJFPRPDERF-PBCQUBLHSA-N- Molecular formula
- C15H23ClN2O
- Average molar mass
- 282.81 g/mol
- Monoisotopic mass
- 282.1498911
Overview
See also: Milnacipran Hydrochloride (preferred); Milnacipran (has active moiety); Levomilnacipran (related).
Names & identifiers
- Preferred name
- [(1S,2R)-2-(Diethylcarbamoyl)-2-phenylcyclopropyl]methylazanium;chloride
- IUPAC
- [(1S,2R)-2-(diethylcarbamoyl)-2-phenylcyclopropyl]methylazanium chloride
- English name
- Milnacipran Hydrochloride
- Molecular formula
- C15H23ClN2O
- Molecular weight
- 282.81
Names & synonyms
[(1S,2R)-2-(Diethylcarbamoyl)-2-phenylcyclopropyl]methylazanium;chlorideIXELF 2207TOLEDOMINDalciprancis-(+-)-dMIDALCIPRANMLNACIPRAM HCLChiral ReagentsMilnacipran HCIMILNACIPRAN HCL
Database identifiers
- CAS
101152-94-7- PubChem CID
- 55480
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 179 · 179-1810C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: 19 mg/mL
- form
- solid
- color
- white
- Water Solubility
- 2 O: · H2O: 19mg/mL
- Merck
- 14 · 14,6194
- InChI
- InChI=1/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+;/s3
- InChIKey
- XNCDYJFPRPDERF-DPKVYHSMNA-N
- SMILES
- [C@@]1(C(=O)N(CC)CC)(C[C@H]1CN)C1C=CC=CC=1.Cl |&1:0,9,r|
- CAS DataBase Reference
- 101152 · 101152-94-7(CAS DataBase Reference)
- FDA UNII
- 43 O5WW5 · RNZ43O5WW5
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- GZ1014010
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29242990
- Toxicity
- LD50 orally in mice: 237 mg/kg (Bonnaud)
- risk_code
- 22-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,T,F
- safety_code
- 7-16-36/37-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesMilnacipran Hydrochloride is an antidepressant. A selective norepinephrine and serotonin reuptake inhibitor approved for the management of fibromyalgia.
General DescriptionMilnacipran Hydrochloride, sold under the brand names Savella, Ixel, Dalcipran, or Toledomin, is a serotonin-norepinephrine reuptake inhibitor (SNRI) used in the treatment of depression. In 2009, the US Food and Drug Administration (FDA) approved milnacipran for management of the chronic pain disorder fibromyalgia, making it only the third drug approved in the US for this indication besides duloxetine and pregabalin.
Additional notes
DefinitionChEBI: Milnacipran hydrochloride is a member of acetamides.
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