Formoterolfumarate
Basic information
- CAS
183814-30-4- Standard SMILES
COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)C=CC(=O)O- InChIKey
RATSWNOMCHFQGJ-UHFFFAOYSA-N- Molecular formula
- C42H56N4O14
- Average molar mass
- 840.9 g/mol
- Monoisotopic mass
- 840.37930247
Names & identifiers
- Preferred name
- Formoterolfumarate
- IUPAC
- but-2-enedioic acid;bis(N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide);dihydrate
- English name
- Formoterol fumarate dihydrate
- Molecular formula
- C23H28N2O8
- Molecular weight
- 460.48
Names & synonyms
Formoterol fumarate dihydrate183814-30-4FORMOTEROLFUMARATESCHEMBL29039567C42H56N4O14PD046114but-2-enedioic acid;N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide;dihydrateUnii-W34shf8J2kFormoterol fumarate dihydrate ,98.5%Formoterol hemifumarFumarate Fumatrol DihydrateforMaMide fuMarate dihydrate
Show more names
Formoterol Fumarate (100 mg)Formoterol fumarate 2-hydrateArformoterol Fumarate DihydrateFormoterol Hemifumarate Dihydrate
Database identifiers
- CAS
183814-30-4- PubChem CID
- 53396306
- EC Number
- 680-657-3
Properties
Computed structural properties
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 18
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 507
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 116 · 116-120°C
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/mL · DMSO: soluble20mg/mL
- form
- solid
- color
- white to off-white
- InChIKey
- RATSWNOMCHFQGJ-XODSYJLDSA-N
- SMILES
- C(/C(=O)O)=C\C(=O)O.[C@@H](C1C=CC(O)=C(NC=O)C=1)(O)CN[C@@H](C)CC1C=CC(OC)=CC=1 |&1:8,22,r|
- CAS DataBase Reference
- 183814 · 183814-30-4
- FDA UNII
- 34 SHF8J2K · W34SHF8J2K
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Danger
H302+H332 (16.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P273, P280, P284, P301+P317, P304+P340, P308+P316, P316, P317, P318, P319, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGII
- hs_code
- 29242990
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H332-H361d-H370-H373-H412
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Repr. 2STOT RE 2STOT SE 1
- Precautionary statements
- P201-P202-P260-P273-P304+P340+P312-P308+P311
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
FORMOTEROL FUMARATE DIHYDRATE
Adrenergic beta2-Agonists [MoA]; beta2-Adrenergic Agonist [EPC]
Applications
UsesFormoterol is a selective β2-adrenergic receptor agonist. Formoterol is used as an antiasthmatic.
UsesForMoterol FuMarate Dihydrate is a selective β2-adrenergic receptor agonist,it is used as an antiasthmatic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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