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Basic information
- CAS
1010-93-1- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CC(=O)O- InChIKey
RVEGZXNRNWUYKI-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.139 g/mol
- Monoisotopic mass
- 185.0436557
Names & identifiers
- Preferred name
- 2-Methyl-5-nitro-1H-imidazole-1-acetic acid
- IUPAC
- (2-Methyl-5-nitro-1H-imidazol-1-yl)acetic acid
- English name
- 2-methyl-5-nitroimidazol-1-ylacetic acid
- Molecular formula
- C6H7N3O4
- Molecular weight
- 185.14
Names & synonyms
Ccris 2147Metronidazole Impurity7Metronidazole IMpurity GMetronidazole Impurity79Metronidazole acetic acidMetronidazole EP Impurity GMetronidazole-1-acetic acid1-CarboxymethylmetronidazoleMetronidazole impurity G (EP)2-(2-Methyl-5-nitro-1H-imidazol-1-y
Database identifiers
- CAS
1010-93-1- PubChem CID
- 115249
- DTXSID
DTXSID80143626- ChEMBL
CHEMBL3544703- ChEBI
CHEBI:166515- UNII
- 69IKL472BQ
- EC Number
- 641-572-7
- Nikkaji
- J49.310D
Properties
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Boiling point
- 475.9 · 475.9±25.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 3.65 · 3.65±0.10(Predicted)
- color
- White to Pale Beige
- BRN
- 613770 · 613770
- Stability
- Hygroscopic
- Major Application
- pharmaceutical
- InChI
- 1S/C6H7N3O4/c1-4-7-2-5(9(12)13)8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
- InChIKey
- RVEGZXNRNWUYKI-UHFFFAOYSA-N
- SMILES
- O=C(O)CN1C(C)=NC=C1[N+]([O-])=O
- FDA UNII
- 69 IKL472BQ · 69IKL472BQ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
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
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses2-Methyl-5-nitroimidazole-1-acetic Acid is a metabolite of metronidazole with mutagenic activity.
Suppliers84 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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