Basic information
- CAS
18109-80-3- Standard SMILES
CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1- InChIKey
DDVUMDPCZWBYRA-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Overview
Butamirate is an alkylbenzene.
Names & identifiers
- Preferred name
- Butamirate
- IUPAC
- 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate
- English name
- Butamyrate
- Molecular formula
- C18H29NO3
- Molecular weight
- 307.431
Names & synonyms
Butamirate18109-80-3ButamiratoButamiratumCodimin2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoateM75MZG2236DTXSID70484032-(2-(diethylamino)ethoxy)ethyl 2-phenylbutanoateRefChem:121975DTXCID5028376R05DB13
Show more names
ButamyrateButamirate (Base)Butamirate [inn:ban]Butamyrate USP/EP/BPButamiratum [inn-latin]Butamirato [inn-spanish]
2-(2-diethylaminoethoxy)ethyl-2-phenylbutamyrate dihydrogen citrate242-005-2alpha-Ethylbenzeneacetic acid, 2-(2-(diethylamino)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Benzeneacetic acid, alpha-ethyl-, 2-(2-(diethylamino)ethoxy)ethyl esterButamirate (INN)BUTAMIRATE [INN]Brospamin2-[2-(Diethylamino)ethoxy]ethyl 2-phenylbutyrate
Database identifiers
- CAS
18109-80-3- PubChem CID
- 28892
- DTXSID
DTXSID7048403- ChEMBL
CHEMBL1332546- ChEBI
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Experimental & physicochemical properties
Solubility41.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 1 · bp1 140-155°
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.68 · 9.68±0.25(Predicted)
- form
- Oil
- color
- Clear Colourless to Dark Yellow
- LogP
- 3.39 · 3.39
- FDA UNII
- 75 MZG2236 · M75MZG2236
- ATC code
- 5 DB13 · R05DB13
- REACH Registrations
- Active
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 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Butamirate (EC: 242-005-2)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
ATC Code
R05DB13
R - Respiratory system
QR - Respiratory system
Applications
UsesAntitussive.
Upstream & downstream products
Upstream raw materials
Suppliers23 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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