73851-70-4
Product Name:
RANITIDINE IMPURITY C
Formula:
C13H22N4O4S
Synonyms:
(N-[2-[[[5-[(DIMETHYLAMINO) METHYL]-2-FURANYL]METHYL] SULFINYL]ETHYL]-N-METHYL-2- NITRO-1,1-ETHENEDIAMINE;N-{2-{{{5-[(Dimethylamino)methyl]furan-2-yl}methyl}sulfinyl}ethyl}-N′-methyl-2-nitroethene-1,1-diamine;Ranitidine S-oxide
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 330.41 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 330.13617637 g/mol |
| Monoisotopic Mass | 330.13617637 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 411 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ranitidine-S-oxide is a sulfoxide derivative of the drug ranitidine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of furans, a tertiary amino compound, a C-nitro compound and a sulfoxide.