4-Hydroxy-3-methoxyphenylglycol Hemipiperazinium Salt - CAS 67423-45-4
Catalog: |
BB033271 |
Product Name: |
4-Hydroxy-3-methoxyphenylglycol Hemipiperazinium Salt |
CAS: |
67423-45-4 |
Synonyms: |
1-(4-Hydroxy-3-methoxyphenyl)-1,2-ethanediol Piperazine Salt |
Application: |
4-Hydroxy-3-methoxyphenylglycol Hemipiperazinium Salt is a cerebral norepinephrine metabolite. |
Related CAS: | 534-82-7 (free base)
|
IUPAC Name: | 1-(4-hydroxy-3-methoxyphenyl)ethane-1,2-diol;piperazine |
Description: | 4-Hydroxy-3-methoxyphenylglycol Hemipiperazinium Salt is a metabolite of cerebral Norepinephrine, which is widely used as an injectable drug for the treatment of critically low blood pressure. |
Molecular Weight: | 454.51 |
Molecular Formula: | C22H34N2O8 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(CO)O)O.COC1=C(C=CC(=C1)C(CO)O)O.C1CNCCN1 |
InChI: | InChI=1S/2C9H12O4.C4H10N2/c2*1-13-9-4-6(8(12)5-10)2-3-7(9)11;1-2-6-4-3-5-1/h2*2-4,8,10-12H,5H2,1H3;5-6H,1-4H2 |
InChI Key: | KCECBJRHWSOTMR-UHFFFAOYSA-N |
Boiling Point: | 392.9°C at 760 mmHg |
Melting Point: | 118-122°C |
Purity: | 95% |
Solubility: | Soluble in Methanol (Slightly) |
Appearance: | Off-white solid |
Storage: | Store at -20°C |
LogP: | 0.68980 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2779217-A2 | Chemical mechanical planarization for tungsten-containing substrates | 20130312 |
JP-2014194016-A | Chemical mechanical planarization for tungsten-containing substrates | 20130312 |
KR-20140111992-A | Chemical mechanical planarization for tungsten-containing substrates | 20130312 |
US-2014273458-A1 | Chemical Mechanical Planarization for Tungsten-Containing Substrates | 20130312 |
JP-2012213396-A | Microorganisms selected using guaiacol recognition as an indicator and guaiacol-containing compositions having microbial growth promoting activity | 20110331 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 454.23151605 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 8 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 454.23151605 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 164 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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