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Pyridoxal, hydrochloride

Pyridoxal, hydrochloride structure

CAS No:
65-22-5
Formula:
C8H9NO3.ClH
Chemical Name:
Pyridoxal, hydrochloride
Synonyms:
4-Pyridinecarboxaldehyde,3-hydroxy-5-(hydroxymethyl)-2-methyl-,hydrochloride (1:1);Pyridoxal,hydrochloride;4-Pyridinecarboxaldehyde,3-hydroxy-5-(hydroxymethyl)-2-methyl-,hydrochloride;2-Methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride;3-Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride;3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde hydrochloride;3-Hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde hydrochloride
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

White to off-white crystalline powder

Pyridoxal hydrochloride is a hydrochloride obtained by combining pyridoxal with one molar equivalent of hydrochloric acid. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a cofactor, a human metabolite and a mouse metabolite. It is a hydrochloride, a pyridinium salt and a vitamin B6. It contains a pyridoxal(1+).

Pyridoxal, hydrochloride Basic Attributes

Molecular Weight：

203.62

Exact Mass：

203.034927

EC Number：

200-602-5

UNII：

1416KF0QBC

NSC Number：

19613

DSSTox ID：

DTXSID0058774

HScode：

2933399090

Characteristics

PSA：

70.4

XLogP3：

1.20240

Appearance：

off-white powder

Melting Point：

165 °C

Boiling Point：

412.8ºC at 760 mmHg

Flash Point：

203.5ºC

Water Solubility：

Soluble in water and ethanol.

Storage Conditions：

-20ºC

Collision Cross Section：

132.51 Å² [M-H]- [CCS Type: DT, Method: stepped-field]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S24/25-S22

RTECS Number：

UV1225000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (71.43%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Pyridoxal, hydrochloride Use and Manufacturing

Uses

For the labeling of amino acids and their detection in picomolar amounts1; Coenzymes and Cofactors, vol. 1: Vitamin B6, Pyridoxal Phosphate2 Pyridoxal is one of the three natural forms of vitamin B6, along with pyridoxamine and pyridoxine. All of these forms are converted in the human body into a single biologically active form, Pyridoxal 5-phosphate (P991715). Green plants are a natural source of Pyridoxal, and its deficiency in the human body can lead to serious complications such as epilepsy and seizures.

Manufacturing Info：

4-Pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-, hydrochloride (1:1): ACTIVE

Computed Properties

Molecular Weight:203.62
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:203.0349209
Monoisotopic Mass:203.0349209
Topological Polar Surface Area:70.4
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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