Basic information
- CAS
29699-89-6- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1- InChIKey
XHJLDAHBWWMCRZ-UHFFFAOYSA-N- Molecular formula
- C10H9N3O5S
- Average molar mass
- 283.26 g/mol
- Monoisotopic mass
- 283.02629157
Names & identifiers
- Preferred name
- 4-Nitro-sulfamethoxazole
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzenesulfonamide
- English name
- 4-Nitro Sulfamethoxazole
- Molecular formula
- C10H9N3O5S
- Molecular weight
- 283.26
Names & synonyms
NitrosulfamethoxazoleN-(5-Methylisoxazol-3-yl)-4-nitrobenzenesulfonamidebenzenesulfonamide, n-(5-methyl-3-isoxazolyl)-4-nitro-4-nitro-sulfamethoxazoleRUX9Z8AS99DTXSID20352058RefChem:198757DTXCID0030312429699-89-64-Nitro SulfamethoxazoleSulfamethoxazole-NON-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzenesulfonamide
Show more names
Sulfamethoxazole 4-NitroModafinil Impurity 7-d10Sulfamethoxazole Impurity 3N-(5-methyl-3-isoxazolyl)-4-nitrobenzenesulfonamide4-Nitro Sulfamethoxazole/Sulfamethoxazole 4-Nitro Impurity/N-(5-Methylisoxazol-3-yl)-4-nitrobenzenesulfonamide
N-(5-methyl-1,2-oxazol-3-yl)-4-nitrobenzene-1-sulfonamideN-(5-Methyl-3-isoxazolyl)-4-nitrobenzenesulfonamide; N-(5-Methylisoxazol-3-yl)-4-nitrobenzenesulfonamide; Nitrosulfamethoxazole;4-nitro-SMX4-nitrosulfamethoxazoleUNII-RUX9Z8AS99Oprea1_077034Oprea1_102547C10H9N3O5S
Database identifiers
- CAS
29699-89-6- PubChem CID
- 717516
- DTXSID
DTXSID20352058- ChEMBL
CHEMBL610753- UNII
- RUX9Z8AS99
- Nikkaji
- J370.406H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 193 · 193-195°C (dec.)
- Boiling point
- 497.6 · 497.6±55.0 °C(Predicted)
- Density
- 1.55 · 1.550±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 5.65 · 5.65±0.40(Predicted)
- color
- Pale Beige to Light Brown
- FDA UNII
- 9 Z8AS99 · RUX9Z8AS99
Chemistry & industry
Applications
UsesA Sulfamethoxazole metabolite.
Suppliers22 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
心邀（深圳）生物科技有限公司0755-89880280 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…