Sulfamethoxazole EP Impurity A2 CAS#: 723-46-620022010; ChemWhat Code: 1409495

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameSulfamethoxazole EP Impurity A2
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide  
Molecular Structure3-Aminopyridine-CAS-462-08-8
CAS Registry Number 462-08-8
EINECS Number207-322-2
MDL NumberMFCD00006400
Beilstein Registry Number105692
Synonymssulfamethoxazole
723-46-6
Gantanol
Sulphamethoxazole
Sulfisomezole
Sulfamethoxazol
Metoxal
4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
Sulfamethylisoxazole
Simsinomin
Radonil
Sinomin
Sulphamethoxazol
4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide
Sulpha-methoxizole
Bactrim
Sulfamethalazole
Azo-gantanol
Sulphamethylisoxazole
Ro 4-2130
Urobak
3-Sulfanilamido-5-methylisoxazole
Gantanol-DS
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Sulfamethoxazolum
Sulphisomezole
Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-
5-Methyl-3-sulfanilamidoisoxazole
MS 53
3-Sulphanilamido-5-methylisoxazole
5-Methyl-3-sulphanil-amidoisoxazole
3-(p-Aminophenylsulfonamido)-5-methylisoxazole
5-Methyl-3-sulfanylamidoisoxazole
N’-(5-Methyl-3-isoxazolyl)sulfanilamide
N1-(5-Methyl-3-isoxazolyl)sulfanilamide
N’-(5-Methylisoxazol-3-yl)sulphanilamide
3-(para-Aminophenylsulphonamido)-5-methylisoxazole
Sulmeprim
SMX
Trimeth/Sulfa
A047
Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-
N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide
CHEBI:9332
N’-(5-Methyl-3-isoxazole)sulfanilamide
Sulfamethoxizole
Ro 6-2580/11
STX-608
4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide
Sulfanilamide, N’-(5-methyl-3-isoxazolyl)-
4-AMINO-N-(5-METHYL-3-ISOXAZOYL)BENZENESULFONAMIDE
Bactrimel
Gamazole
MFCD00010546
N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide
CHEMBL443
NSC-147832
Ro-4-2130
MLS000069732
JE42381TNV
Sulfametoxazol
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
Solfametossazolo
N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide
5-Methyl-3-sulfonylamidoisoxazole
3-(p-Aminobenzenesulfonamido)-5-methylisoxazole
NSC147832
4-Amino-N-(5-methyl-3-isoxazolyl)-benzenesulfonamide
144930-01-8
NCGC00016533-05
NCGC00186654-01
CAS-723-46-6
SMR000058223
Sulfamethoxazole 100 microg/mL in Acetonitrile
Solfametossazolo [DCIT]
3-METHYL-1-(4-SULFOAMIDOPHENYL)-5-PYRA&
Sulfametoxazol [INN-Spanish]
Sulfamethoxazolum [INN-Latin]
Benzenesulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)-, radical ion(1+)
CCRIS 567
HSDB 3186
SR-01000000217
EINECS 211-963-3
NSC 147832
BRN 0226453
UNII-JE42381TNV
Sulfanilamide, N(1)-(5-methyl-3-isoxazolyl)-
08D
Prestwick_453
ALBB-002089
Septran (Salt/Mix)
Septrin (Salt/Mix)
Sulfamethoxazole,(S)
Eusaprim (Salt/Mix)
Spectrum_000994
Sulfamethoxazole(USAN)
starbld0000281
Opera_ID_882
Maybridge1_007190
Prestwick0_000177
Prestwick1_000177
Prestwick2_000177
Prestwick3_000177
Spectrum2_000788
Spectrum3_000584
Spectrum4_000345
Spectrum5_000982
Sulfamethoxazole [USAN:USP:INN:BAN:JAN]
Epitope ID:114999
Co-trimoxazole (Salt/Mix)
SCHEMBL3656
Oprea1_114486
Oprea1_285680
BSPBio_000073
BSPBio_002028
KBioGR_000749
KBioSS_001474
SULFAMETHOXAZOLE [MI]
MLS001055354
MLS001074165
MLS006011871
BIDD:GT0731
DivK1c_000649
SPECTRUM1500550
SULFAMETHOXAZOLE [INN]
SULFAMETHOXAZOLE [JAN]
SPBio_000896
SPBio_001994
SULFAMETHOXAZOLE [HSDB]
SULFAMETHOXAZOLE [IARC]
SULFAMETHOXAZOLE [USAN]
(4-aminophenyl)sulfonylamine
BPBio1_000081
SULFAMETHOXAZOLE [VANDF]
DTXSID8026064
SULFAMETHOXAZOLE [MART.]
component of Bactrim (Salt/Mix)
GTPL10933
HMS502A11
HMS561O18
JLKIGFTWXXRPMT-UHFFFAOYSA-
KBio1_000649
KBio2_001474
KBio2_004042
KBio2_006610
KBio3_001528
ZINC89763
N1-(5-methylisoxazol-3-yl)-4-aminobenzene-1-sulfonamide
STX 608
SULFAMETHOXAZOLE [USP-RS]
SULFAMETHOXAZOLE [WHO-DD]
SULFAMETHOXAZOLE [WHO-IP]
WLN: T5NOJ C1 EMSWR DZ
NINDS_000649
HMS1568D15
HMS1921A21
HMS2092K03
HMS2095D15
HMS2233L13
HMS3259E06
HMS3372M22
HMS3655O22
HMS3712D15
Pharmakon1600-01500550
BCP02881
HY-B0322
Sulfamethoxazole (JP17/USP/INN)
Sulfamethoxazole, analytical standard
Tox21_110480
Tox21_200353
BBL004554
BDBM50029770
CCG-40166
NSC757328
Ro-42130
s1915
STK007988
SULFAMETHOXAZOLE [ORANGE BOOK]
AKOS000200952
component of Azo Gantanol (Salt/Mix)
Tox21_110480_1
BS-3542
DB01015
NC00537
NSC-757328
RP-2145
SULFAMETHOXAZOLE [EP MONOGRAPH]
COTRIM COMPONENT SULFAMETHOXAZOLE
IDI1_000649
SEPTRA COMPONENT SULFAMETHOXAZOLE
SULFAMETHOXAZOLE [USP MONOGRAPH]
SULFAMETHOXAZOLUM [WHO-IP LATIN]
BACTRIM COMPONENT SULFAMETHOXAZOLE
NCGC00016533-01
NCGC00016533-02
NCGC00016533-03
NCGC00016533-04
NCGC00016533-06
NCGC00016533-07
NCGC00016533-08
NCGC00016533-09
NCGC00016533-10
NCGC00016533-11
NCGC00016533-12
NCGC00016533-14
NCGC00021995-03
NCGC00021995-04
NCGC00021995-05
NCGC00257907-01
UROPLUS COMPONENT SULFAMETHOXAZOLE
AC-11118
SY018888
BCP0726000283
N’-(5-Methyl-3-isoxazolyl)-Sulfanilamide
N1-(5-methyl-3-isoxazolyl)-Sulfanilamide
N1-(5-Methyl-3-isoxazolyl)sulphanilamide
SBI-0051524.P003
SULFAMETHOXAZOLE COMPONENT OF COTRIM
SULFAMETHOXAZOLE COMPONENT OF SEPTRA
SULFATRIM COMPONENT SULFAMETHOXAZOLE
SULMEPRIM COMPONENT SULFAMETHOXAZOLE
BACTRIM DS COMPONENT SULFAMETHOXAZOLE
Co-trimethoxazole component sulfamethoxazole
DB-055629
SULFAMETHOXAZOLE COMPONENT OF BACTRIM
SULFAMETHOXAZOLE COMPONENT OF UROPLUS
AB00052099
BB 0242379
FT-0602616
N^1-(5-Methyl-3-isoxazolyl)-Sulfanilamide
SW196670-3
AZO GANTANOL COMPONENT SULFAMETHOXAZOLE
COTRIM D.S. COMPONENT SULFAMETHOXAZOLE
EN300-18400
SULFAMETHOXAZOLE COMPONENT OF SULFATRIM
SULFAMETHOXAZOLE COMPONENT OF SULMEPRIM
C07315
D00447
F12027
SULFAMETHOPRIM COMPONENT SULFAMETHOXAZOLE
SULFAMETHOXAZOLE COMPONENT OF BACTRIM DS
AB00052099-14
AB00052099-16
AB00052099_17
AB00052099_18
Sulfamethoxazole 1000 microg/mL in Acetonitrile
SULFAMETHOXAZOLE COMPONENT OF AZO GANTANOL
SULFAMETHOXAZOLE COMPONENT OF COTRIM D.S.
BACTRIM PEDIATRIC COMPONENT SULFAMETHOXAZOLE
Ndimethyl1-(5-methyl-3-isoxazolyl)-Sulfanilamide
Q415843
SULFAMETHOXAZOLE COMPONENT OF SULFAMETHOPRIM
Q-201762
SR-01000000217-2
SR-01000000217-3
Sulfamethoxazole, VETRANAL(TM), analytical standard
4-Amino-N-(5-methylisoxazol-3-yl)benzenesulphonamide
BRD-K28494619-001-05-0
BRD-K28494619-001-15-9
BRD-K28494619-001-26-6
SULFAMETHOXAZOLE COMPONENT OF BACTRIM PEDIATRIC
Z57198677
4-Amino-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide
Sulfamethoxazole, British Pharmacopoeia (BP) Reference Standard
Sulfamethoxazole, certified reference material, TraceCERT(R)
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; SMX; SMZ
Sulfamethoxazole, European Pharmacopoeia (EP) Reference Standard
Sulfamethoxazole, United States Pharmacopeia (USP) Reference Standard
Sulfamethoxazole, Pharmaceutical Secondary Standard; Certified Reference Material
129378-89-8
Molecular FormulaC10H11N3O3S
Molecular Weight253.28
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)  
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N  
Canonical SMILESCC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N  
Patent Information
Patent IDTitlePublication Date
 CN110117240Thiamine disulfide compound and synthesizing method and application thereof2019
US2016/158251COMPOSITION FOR PREVENTING OR TREATING MUSCULAR ATROPHY OR PROMOTING MUSCULAR REGENERATION IN SUBJECT COMPRISING SULFONAMIDE COMPOUND AND USE THEREOF2016
WO2005/42513PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE2005

Physical Data

AppearanceA white or almost white, crystalline powder.
Melting Point, °C Solvent (Melting Point)
190
167
170.2
168 – 172
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C
1.49319.84
19.84
1.4919.84
Description (Association (MCS))Solvent (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Association with compoundmethanolBoc-Leu-Aib-Phe-Phe-Aib-OMe
Stability constant of the complex with …H2O25β-cyclodextrin
Further physical properties of the complexH2O25β-cyclodextrin
Stability constant of the complex with …dioxane, H2O35copper

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C Frequency (NMR Spectroscopy), MHz
Solid state NMR, Spectrum13C
Chemical shifts1Hdimethylsulfoxide-d626.84
Chemical shifts13Cdimethylsulfoxide-d626.84
Description (IR Spectroscopy)
ATR (attenuated total reflectance), Spectrum
Bands, Spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1
Spectrum
Spectrumacetonitrile

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 3-Aminopyridine CAS 462-08-8
ConditionsYield
With hydrogenchloride In methanol; diethyl ether at 75℃; for 0.25h; Microwave irradiation;100%
With sodium hydroxide In water for 4h; Reflux;93%

Safety and Hazards

Pictogram(s)exclamation-markenvironment
SignalWarning
GHS Hazard StatementsH315 (55.56%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (56.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (54.63%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (56.48%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (34.26%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (34.26%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P313, P337+P317, P362+P364, P391, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from light
HS CodeNo data available
StorageUnder room temperature away from light
Shelf Life5 years
Market Price
Druglikeness
Lipinski rules component
Molecular Weight253.282
logP1.181
HBA4
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)106.6
Rotatable Bond (RotB)3
Matching Veber Rules2
Bioactivity
In vitro: Efficacy
Quantitative Results
Quantitative Results
1 of 1,729Comment (Pharmacological Data)Bioactivities present
ReferenceSulfur substituted sulfonylaminocarboxylic acid N-arylamides, their preparation, their use and pharmaceutical preparations comprising them
2 of 1,729Comment (Pharmacological Data)Bioactivities present
ReferencePharmaceutical vehicle
3 of 1,729Comment (Pharmacological Data)Bioactivities present
Reference
Use Pattern
Sulfamethoxazole EP Impurity A2 CAS#: 723-46-620022010 is mainly used to treat acute and chronic urinary tract infections, and can also be used to prevent meningitis and acute otitis media caused by influenza bacilli.

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