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Chelidamic acid

Chelidamic acid structure

CAS No:
138-60-3
Formula:
C7H5NO5
Chemical Name:
Chelidamic acid
Synonyms:
2,6-Pyridinedicarboxylic acid,1,4-dihydro-4-oxo-;Chelidamic acid;1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid;NSC 3983;4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Chelidamic acid is a heterocyclic organic acid with a pyran skeleton. Chelidamic acid has good coordination ability with noble metal ions. Chelidamic acid is also one of the most potent inhibitors of glutamate decarboxylase, with a Ki of 33 μM.

Chelidamic acid Basic Attributes

Molecular Weight：

183.12

Exact Mass：

183.12

EC Number：

205-335-8

UNII：

1A59BH8SXE

NSC Number：

3983

DSSTox ID：

DTXSID00160451

HScode：

2933399090

Characteristics

PSA：

104

XLogP3：

-0.4

Appearance：

brown

Density：

1.7±0.1 g/cm3

Melting Point：

248 °C (decomp)

Boiling Point：

428.3°C at 760 mmHg

Flash Point：

212.8±28.7 °C

Refractive Index：

1.635

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

1.56E-08mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

chelidamic acid

Chelidamic acid Use and Manufacturing

Methods of Manufacturing

Chelidamic acid was synthesized using an adapted literature protocol.

Uses

~~"Glutamate analogs~~" as glutamate decarboxylase inhibitors.

Computed Properties

Molecular Weight:183.12
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:183.01677226
Monoisotopic Mass:183.01677226
Topological Polar Surface Area:104
Heavy Atom Count:13
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium nitrite

Sulfuric acid

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