76963-41-2
Product Name:
Nizatidine
Formula:
C12H21N5O2S2
Synonyms:
N-{2-[2-(N,N-Dimethylaminomethyl)-4-thiazolylmethylthio]ethyl}-N′-methyl-2-nitro-1,1-ethenediamine;Nizatidine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from ethanol-ethyl acetate |
| Odor | Mild, sulfur-like odor |
| Taste | Bitter |
| Melting Point | 130-132 °C |
| Solubility | >49.7 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.1 |
| Collision Cross Section | 168.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 331.5 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 331.11366728 g/mol |
| Monoisotopic Mass | 331.11366728 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 349 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Nizatidine is a member of the class of 1,3-thiazoles having a dimethylaminomethyl substituent at position 2 and an alkylthiomethyl moiety at position 4. It has a role as an anti-ulcer drug, a H2-receptor antagonist and a cholinergic drug. It is a member of 1,3-thiazoles, a C-nitro compound, an organic sulfide, a tertiary amino compound and a carboxamidine.