Pyridoxamine dihydrochloride

• CAS: 524-36-7
• Catalog Number: ACM524367
• Category: Other Products
• Molecular Weight: 241.11
• Molecular Formula: C8H14Cl2N2O2
• Synonyms: Pyridoxamine dihydrochloride monohydrate
• IUPAC Name: 4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
• Canonical SMILES: CC1=NC=C(C(=C1O)CN)CO.Cl.Cl
• InChI: InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
• InChI Key: HNWCOANXZNKMLR-UHFFFAOYSA-N
• Boiling Point: 460.1 °C/760 mmHg
• Melting Point: 224-226 °C(lit.)
• Flash Point: 232.1 °C
• Density: 1.4025 g/cm³
• Solubility: Soluble in DMSO, water, methanol
• Appearance: White powder
• Storage: Inert atmosphere, store in freezer, under -20 °C
• Complexity: 143
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 0
• Exact Mass: 240.0432331
• Hazard Statements: Xi
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 5
• Monoisotopic Mass: 240.0432331
• Physical State: Powder
• Refractive Index: 1.6100
• Rotatable Bond Count: 2
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 79.4 Ų

Custom Q&A

What is the molecular formula of pyridoxamine dihydrochloride?

The molecular formula of pyridoxamine dihydrochloride is C8H14Cl2N2O2.

What are some synonyms for pyridoxamine dihydrochloride?

Some synonyms for pyridoxamine dihydrochloride include PYRIDOXAMINE DIHYDROCHLORIDE, 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol dihydrochloride, Pyridorin, and Pyridoxamine 2HCl.

What is the molecular weight of pyridoxamine dihydrochloride?

The molecular weight of pyridoxamine dihydrochloride is 241.11 g/mol.

What is the parent compound of pyridoxamine dihydrochloride?

The parent compound of pyridoxamine dihydrochloride is Pyridoxamine (CID 1052).

What are the component compounds of pyridoxamine dihydrochloride?

The component compounds of pyridoxamine dihydrochloride are Hydrochloric Acid (CID 313) and Pyridoxamine (CID 1052).

What is the IUPAC name of pyridoxamine dihydrochloride?

The IUPAC name of pyridoxamine dihydrochloride is 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.

What is the InChIKey of pyridoxamine dihydrochloride?

The InChIKey of pyridoxamine dihydrochloride is HNWCOANXZNKMLR-UHFFFAOYSA-N.

What is the CAS number of pyridoxamine dihydrochloride?

The CAS number of pyridoxamine dihydrochloride is 524-36-7.

What is the hydrogen bond donor count of pyridoxamine dihydrochloride?

The hydrogen bond donor count of pyridoxamine dihydrochloride is 5.

What is the topological polar surface area of pyridoxamine dihydrochloride?

The topological polar surface area of pyridoxamine dihydrochloride is 79.4 Å^2.

Synthetic Use

Upstream Synthesis Route 1

• 408335-89-7

• 524-36-7

Reference: [1] Patent: WO2006/66806, 2006, A1, . Location in patent: Page/Page column 16

Upstream Synthesis Route 2

• 863030-57-3

• 524-36-7

Reference: [1] Patent: WO2005/77902, 2005, A2, . Location in patent: Page/Page column 40-42

Upstream Synthesis Route 3

• 20905-66-2

• 524-36-7

Reference: [1] Pharmaceutical Chemistry Journal, 1980, vol. 14, # 6, p. 407 - 409[2] Khimiko-Farmatsevticheskii Zhurnal, 1980, vol. 14, # 6, p. 79 - 81

Upstream Synthesis Route 4

• 20905-66-2

• 524-36-7

Reference: [1]Pharmaceutical Chemistry Journal,1980,vol. 14,p. 407 - 409
Khimiko-Farmatsevticheskii Zhurnal,1980,vol. 14,p. 79 - 81

Downstream Synthesis Route 1

• 110-86-1
• 524-36-7
• 112-13-0

• 104622-70-0

Reference: [1]Journal of Organic Chemistry,1957,vol. 22,p. 825

* For details of the synthesis route, please refer to the original source to ensure accuracy.