Basic information
- CAS
17316-67-5- Standard SMILES
CCCCNC(C)(C)[PH](=O)O- InChIKey
WCXWARPXYQCRPP-UHFFFAOYSA-N- Molecular formula
- C7H18NO2P
- Average molar mass
- 179.2 g/mol
- Monoisotopic mass
- 179.10751581
Overview
Butafosfan is a small molecule drug. Butafosfan has a monoisotopic molecular weight of 179.11 Da.
Names & identifiers
- Preferred name
- P-(1-(Butylamino)-1-methylethyl)phosphinic acid
- IUPAC
- 2-(butylamino)propan-2-ylphosphinic acid
- English name
- Butafosfan
- Molecular formula
- C7H18NO2P
- Molecular weight
- 179.2
Names & synonyms
RefChem:857908P-(1-(Butylamino)-1-methylethyl)phosphinic acid241-341-7(1-(Butylamino)-1-methylethyl)phosphinic Acid17316-67-52-(butylamino)propan-2-yl)phosphinic acid3Q2LQ1149LButafosfanButafosfanumC7H18NO2PCofortaDTXCID1028607
Show more names
ButaphosphanButafButafoButaphoButaflonutafosfanCloth he pButafosulfateButaphosphate
DTXSID5048681
Database identifiers
- CAS
17316-67-5- PubChem CID
- 72084
- DTXSID
DTXSID5048681- ChEMBL
CHEMBL1979022- EC Number
- 241-341-7
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 219 °C · 219 °C
- Boiling point
- 273.4 · 273.4±42.0 °C(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 2.99 · 2.99±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- InChI=1S/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)
- InChIKey
- WCXWARPXYQCRPP-UHFFFAOYSA-N
- SMILES
- P(C(NCCCC)(C)C)(O)=O
- CAS DataBase Reference
- 17316 · 17316-67-5(CAS DataBase Reference)
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 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
ATC CodeQA - Alimentary tract and metabolism
Applications
UsesButafosfan is an organic phosphorus supplement that is given, most commonly with cyanocobalamin, to cattle, swine, horses, and poultry for the prevention or treatment of deficiencies. When given with cyanocobalamin, butafosfan alters lipid metabolism, serving to decrease the prevalence of subclinical ketosis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
山东穗泰生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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