Basic information
- CAS
72450-62-5- Standard SMILES
O=S(=O)(O)C1CCNCC1- InChIKey
UGBJGGRINDTHIH-UHFFFAOYSA-N- Molecular formula
- C5H11NO3S
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.04596439
Overview
specific GABA agonist
Names & identifiers
- Preferred name
- Piperidine-4-sulfonic acid
- IUPAC
- piperidine-4-sulfonic acid
- English name
- Piperidine-4-sulfonic acid
- Molecular formula
- C5H11NO3S
- Molecular weight
- 165.21
Names & synonyms
piperidine-4-sulfonic acid72450-62-5Piperidine-4-sulphonic acid4-Piperidinesulfonic acid2M8K8ZJJ5UDTXSID70222752RefChem:174441DTXCID00145243857-071-3P4SCHEMBL34155MFCD00055097
Show more names
PIPERIDINE-4-SULPHONIC ACID-
A1EBDLopac-P-9159UNII-2M8K8ZJJ5ULopac0_001024MLS000069699SCHEMBL106762GTPL4287orb2278504
Database identifiers
- CAS
72450-62-5- PubChem CID
- 4838
- DTXSID
DTXSID70222752- ChEMBL
CHEMBL34155- UNII
- 2M8K8ZJJ5U
- EC Number
- 857-071-3
- Nikkaji
- J548.772B
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Density
- 1.39 · 1.39
- pka
- 1.2 · 1.20±0.20(Predicted)
- form
- powder
- InChI
- 1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
- InChIKey
- UGBJGGRINDTHIH-UHFFFAOYSA-N
- SMILES
- OS(=O)(=O)C1CCNCC1
- FDA UNII
- 2 M8K8ZJJ5U · 2M8K8ZJJ5U
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).
Applications
UsesPiperidine-4-sulfonic Acid is a GABAA receptor agonist.
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [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]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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