Basic information
- CAS
35838-58-5- Standard SMILES
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C.Cl- InChIKey
GQJUGJHJUZSJLZ-UHFFFAOYSA-N- Molecular formula
- C14H20ClN5O2
- Average molar mass
- 325.79 g/mol
- Monoisotopic mass
- 325.1305526
Overview
See also: Etazolate (has active moiety).
Names & identifiers
- Preferred name
- Etazolate Hydrochloride
- IUPAC
- ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
- English name
- ETAZOLATE
- Molecular formula
- C14H18N5O2HCl
- Molecular weight
- 0
Names & synonyms
Etazolate hydrochloride35838-58-5Etazolate HClSQ 20009DTXSID4045767NSC-1636117YO3254Y6BDTXCID2025767Hydrochloride, EtazolateRefChem:138000SQ20009636-859-9
Show more names
Nsc163611Etazolate hydrochloride solid1-ethyl-4-[(1-methylethylidene)hydrazino]1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochloride1H-Pyrazolo[3,4-B]pyridine-5-carboxylic acid, 1-ethyl-4-[(1-methylethylidene)hydrazino]-, ethyl ester, monohydrochlorideSQ20009, 1-Ethyl-4-[(1-methylethylidene)hydrazino]1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochloride
SQ-20009Etazolate (hydrochloride)Etazolate hydrochloride [USAN]ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochlorideNCGC00093857-01SQ 64442Ethyl 1-ethyl-4-(isopropylidenehydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrochlorideEtazolate hydrochloride (USAN)
Database identifiers
- CAS
35838-58-5
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 193 · 193-194 °C
- storage temp.
- room temp
- solubility
- 2 O: · H2O: >20mg/mL (Solutions should be freshly prepared.)
- form
- solid
- color
- white
- Water Solubility
- 2 O: · H2O: >20mg/mL (Solutions should be freshly prepared.)
- InChI
- 1S/C14H19N5O2.ClH/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2;/h7-8H,5-6H2,1-4H3,(H,15,18);1H
- InChIKey
- GQJUGJHJUZSJLZ-UHFFFAOYSA-N
- SMILES
- Cl.CCOC(=O)c1cnc2n(CC)ncc2c1N\N=C(\C)C
- FDA UNII
- 7 YO3254Y6B · 7YO3254Y6B
- UNSPSC Code
- 41106305 · 41106305
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.
Applications
UsesAntipsychotic.
UsesEtazolate Hydrochloride is an acyclic nucleotide phosphodiesterase 4 inhibitor, which also exhibits antidepressant-like activity in acute and chronic mouse and rat model of depression.
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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