Pantoprazole Chloro Impurity - CAS 72830-09-2
Catalog: |
BB070022 |
Product Name: |
Pantoprazole Chloro Impurity |
CAS: |
72830-09-2 |
Synonyms: |
2-Chloromethyl-3,4-dimethoxy pyridine hydrochloride; Pantoprazole Intermediate |
Related CAS: | 169905-10-6 (free base)
|
IUPAC Name: | 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride |
Description: | An impurity of Pantoprazole which is a proton pump inhibitor to decrease the amount of acid produced in the stomach. |
Molecular Weight: | 224.08 |
Molecular Formula: | C8H11Cl2NO2 |
Canonical SMILES: | COC1=C(C(=NC=C1)CCl)OC.Cl |
InChI: | InChI=1S/C8H10ClNO2.ClH/c1-11-7-3-4-10-6(5-9)8(7)12-2;/h3-4H,5H2,1-2H3;1H |
InChI Key: | YYRIKJFWBIEEDH-UHFFFAOYSA-N |
Melting Point: | 155 °C (dec.)(lit.) |
Solubility: | Chloroform (Slightly, Heated), Methanol (Very Slightly) |
Appearance: | Light Brown Solid |
Storage: | -20°C Freezer |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P313, P362+P364, P391, and P501 |
Signal Word: | Danger |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.016684 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.016684 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 31.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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