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Basic information
- CAS
73857-20-2- Standard SMILES
CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[N+](C)(C)[O-])o1- InChIKey
DFJVUWAHTQPQCV-UHFFFAOYSA-N- Molecular formula
- C13H22N4O4S
- Average molar mass
- 330.41 g/mol
- Monoisotopic mass
- 330.13617637
Names & identifiers
- Preferred name
- Ranitidine N-oxide
- IUPAC
- N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide
- English name
- Ranitidine-N-oxide
- Molecular formula
- C13H22N4O4S
- Molecular weight
- 330.4
Names & synonyms
73857-20-2K131L1Z4KY1,1-Ethenediamine, N-(2-(((5-((dimethyloxidoamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-CHEBI:83498RefChem:930559Ranitidine N-oxideRANITIDINE-N-OXIDEN,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxideUNII-K131L1Z4KYorb1705427DTXSID50891465Q27156881
Show more names
Ranitidine imp ERanitidine impurity ERanitidine Impurity E (EP)N-[2-[[[5-[(Dimethyloxidoamino)-metRanitidine Hydrochloride EP Impurity ERanitidine EP Impurity E (Ranitidine N-Oxide)Ranitidine Impurity 5(Ranitidine EP Impurity E)5-[[2-(1-Methylamino-2-nitroethenylamino)ethyl]thiomethyl]-N,N-dimethyl-2-furanmethanamine oxide
RANITIDINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]RANITIDINE HYDROCHLORIDE IMPURITY, RANITIDINE N-OXIDE- [USP IMPURITY]1,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-, N-oxideN,N-Dimethyl(5-{[(2-{[1-(methylamino)-2-nitroethen-1-yl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methanamine N-oxideN-[2-[[[5-[(Dimethyloxidoamino)-methyl]furan-2-yl]methyl]sulphanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine (Ranitidine N-Oxide)
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly)
- pka
- 4.46 · 4.46±0.40(Predicted)
- form
- Solid
- color
- White to Beige
- Stability
- Very Hygroscopic
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+
- InChIKey
- DFJVUWAHTQPQCV-MDWZMJQESA-N
- SMILES
- CN/C(NCCSCC1=CC=C(CN(C)C)O1)=C\[N+]([O-])=O.O
- FDA UNII
- 131 L1Z4KY · K131L1Z4KY
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesRanitidine N-Oxide (Ranitidine EP Impurity E) is a metabolite of Ranitidine (R120000).
Suppliers44 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [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]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司
Related reactions
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Compound notes
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