Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Misonidazole (Ro 7-0582; SR 1354) is a hypoxic tumor cell radiosensitizer[1]. Misonidazole also has antimicrobial effects
Specifications
Synonyms
SR-1354 | SR1354 | Ro 7-0582
Specifications & Purity
Moligand™, ≥95%
Storage
Room temperature
Grade
Moligand™
Purity
≥95%
Names and Identifiers
| Pubchem Sid | 528774485 |
|---|---|
| Canonical Smiles | COCC(CN1C=CN=C1[N+](=O)[O-])O |
| IUPAC Name | 1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol |
| InChIKey | OBBCSXFCDPPXOL-UHFFFAOYSA-N |
| INCHI | 1S/C7H11N3O4/c1-14-5-6(11)4-9-3-2-8-7(9)10(12)13/h2-3,6,11H,4-5H2,1H3 |
| Isomeric SMILES | COCC(CN1C=CN=C1[N+](=O)[O-])O |
| PubChem CID | 26105 |
| Molecular Weight | 201.18 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
- Class Allyl-type 1,3-dipolar organic compounds
- Subclass Organic nitro compounds
- Level5 C-nitro compounds
- Level6 Nitroaromatic compounds
- Level5 C-nitro compounds
- Subclass Organic nitro compounds
- Class Allyl-type 1,3-dipolar organic compounds
- Superclass Organic 1,3-dipolar compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | N-substituted imidazoles Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alcohol - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
XDH Tclin Xanthine dehydrogenase (1038 Activities)
ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DMS-273 (14108 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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RPMI-8226 (44974 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UO-31 (46270 Activities)
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XF498 (12972 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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EKVX (44102 Activities)
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FME (50 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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KM-20L2 (14967 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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M19-MEL (15326 Activities)
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Malme-3M (44254 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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NCI-H522 (44358 Activities)
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SF-539 (44845 Activities)
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SR (39847 Activities)
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SW-620 (52400 Activities)
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HCT-15 (51914 Activities)
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DMS-114 (15429 Activities)
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Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
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Pseudomonas aeruginosa (123386 Activities)
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Klebsiella pneumoniae (43867 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Escherichia coli (133304 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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Mus musculus (284745 Activities)
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Rattus norvegicus (775804 Activities)
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CHO (4503 Activities)
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CHO-AA8 (574 Activities)
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EMT6 (738 Activities)
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UV4 (255 Activities)
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V79 (1637 Activities)
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rep Replicase polyprotein 1ab (378 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2509545 | Certificate of Analysis | Jun 23, 2025 | M693841 |
| I2509549 | Certificate of Analysis | Jun 23, 2025 | M693841 |
| I2509550 | Certificate of Analysis | Jun 23, 2025 | M693841 |
| I2509551 | Certificate of Analysis | Jun 23, 2025 | M693841 |
Chemical and Physical Properties
| Solubility | DMSO: 60 mg/mL (298.24 mM) |
|---|---|
| Molecular Weight | 201.180 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 201.075 Da |
| Monoisotopic Mass | 201.075 Da |
| Topological Polar Surface Area | 93.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 196.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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