Basic information
- CAS
34866-47-2- Standard SMILES
CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1- InChIKey
KEMXXQOFIRIICG-UHFFFAOYSA-N- Molecular formula
- C13H21N3O3
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.15829154
Overview
Carbuterol is a member of ureas.
Names & identifiers
- Preferred name
- Carbuterol
- IUPAC
- [5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]urea
- English name
- carbuterol
- Molecular formula
- C13H21N3O3
- Molecular weight
- 267.32
Names & synonyms
CARBUTEROL34866-47-2Carbuterolum[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]urea0N12JR32MR(5-(2-(tert-butylamino)-1-hydroxyethyl)-2-hydroxyphenyl)ureacarbuteroloSKF 40383-ASK&F-40,383-ARefChem:123688R03AC10R03CC10
Show more names
Urea, N-[5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-
252-257-5Carbuterol [INN:BAN]Urea, [5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]-Carbuterolum [INN-Latin]EINECS 252-257-5UNII-0N12JR32MRUREA, (5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-2-HYDROXYPHENYL)-CARBUTEROL [MI]
Database identifiers
- CAS
34866-47-2- PubChem CID
- 36976
- DTXSID
DTXSID00865737- ChEMBL
CHEMBL2110780- ChEBI
CHEBI:135100- UNII
- 0N12JR32MR
- EC Number
- 252-257-5
- Nikkaji
- J19.430A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 174 · 174-176°
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic
- FDA UNII
- 0 N12JR32MR · 0N12JR32MR
- ATC code
- 3 AC10,R03CC10 · R03AC10,R03CC10
- Toxicity
- 50 in · LD50 in mice (mg/kg): 32.8 i.v.; 3134.6 orally; in rats: 77.2 i.v. (Wardell)
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
- Toxicity
- LD50 in mice (mg/kg): 32.8 i.v.; 3134.6 orally; in rats: 77.2 i.v. (Wardell)
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesBronchodilator.
UsesCarbuterol is a beta-adrenoceptor binding drug.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
成都大道三灵生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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