alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol sulfate
Basic information
- CAS
5716-20-1- Standard SMILES
CCCC[NH2+]CC(O)c1ccc(O)cc1.CCCC[NH2+]CC(O)c1ccc(O)cc1.O=S(=O)([O-])[O-]- InChIKey
PARMADWNFXEEFC-UHFFFAOYSA-N- Molecular formula
- C24H40N2O8S
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.25053741
Overview
Bamethan sulfate is an ethanolamine sulfate salt. It is functionally related to a bamethan.
Names & identifiers
- Preferred name
- alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol sulfate
- IUPAC
- bis(butyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium);sulfate
- English name
- alpha-[Butylamino]methyl-p-hydroxybenzyl alcohol
- Molecular formula
- C12H21NO6S
- Molecular weight
- 307.36
Names & synonyms
alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol sulfatebutyl-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium;sulfateButibatolVaskulatBamethansulfatBamethan sulfate [USAN:JAN]EINECS 227-214-9UNII-W2L3E1W827Bamethan sulfate (JP17/USAN)alpha-((Butylamino)methyl)-p-hydroxybenzyl alcohol sulfate (2:1) (salt)BENZYL ALCOHOL, alpha-((BUTYLAMINO)METHYL)-p-HYDROXY-, SULFATE (2:1) (SALT)D01673
Show more names
bamethane sulfateeclerngarmiancyclaterotesarbupatolvasculitvasculatbutedrin
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 175 · 175-177°C
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 2 L3E1W827 · W2L3E1W827
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 9205000 · DN9205000
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
- wgk
- 3
- rtecs
- DN9205000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesA vasodilator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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