Basic information
- CAS
134720-07-3- Standard SMILES
CC(C)N(CC(O)c1ccc(NS(C)(=O)=O)cc1)N=O- InChIKey
JRGLEYZCDAJXQF-UHFFFAOYSA-N- Molecular formula
- C12H19N3O4S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.10962727
Names & identifiers
- Preferred name
- N-(4-(1-hydroxy-2-(nitroso(propan-2-yl)amino)ethyl)phenyl)methanesulfonamide
- IUPAC
- N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamide
- English name
- Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]-
- Molecular formula
- C12H19N3O4S
- Molecular weight
- 301.36
Names & synonyms
N-[4-[1-hydroxy-2-[nitroso(propan-2-yl)amino]ethyl]phenyl]methanesulfonamideN-(4-{1-Hydroxy-2-[nitroso(propan-2-yl)amino]ethyl}phenyl)methanesulfonamideN-(4-(1-hydroxy-2-(nitroso(propan-2-yl)amino)ethyl)phenyl)methanesulfonamideRefChem:826856976-181-3N-Nitrososotalol134720-07-3N-nitroso-sotalolN-[4-[1-Hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]methanesulfonamideN-(4-(1-Hydroxy-2-((1-methylethyl)nitrosoamino)ethyl)phenyl)methanesulfonamideN-(4-(1-Hydroxy-2-(isopropyl(nitroso)amino)ethyl)phenyl)methanesulfonamideMethanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)nitrosoamino)ethyl)phenyl)-
Show more names
Sotalol ImpuritySotalol Impurity 9N-Nitrososotalol (Mixture of isomers)Sotalol Impurity 9 (N-Nitroso Sotalol)
CCRIS 4205BRN 4877935Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]-N-Nitrososotalol;Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]-; N-[4-[1-Hydroxy-2-[(1-methylethyl)nitrosoamino]ethyl]phenyl]methanesulfonamideSotalol impurity 6DTXSID50928725HR7364P3K4N-Nitrososotalol 0.1 mg/ml in Methanol
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 526 · 526.0±60.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.38 · 8.38±0.10(Predicted)
- color
- Pale Yellow to Pale Beige
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesN-Nitrososotalol is a N-nitroso derivative of Sotalol (S677303), which is a useful research chemical. N-Nitrososotalol can be used for its genotoxic effects in rat and human hepatocytes.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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