Basic information
- CAS
2856-75-9- Standard SMILES
Cc1nccnc1N1CCCCC1.O=S(=O)(O)O- InChIKey
GJXZNORUUOVBKP-UHFFFAOYSA-N- Molecular formula
- C10H17N3O4S
- Average molar mass
- 275.33 g/mol
- Monoisotopic mass
- 275.09397721
Overview
See also: Modaline (has active moiety).
Names & identifiers
- Preferred name
- Modaline Sulfate
- IUPAC
- 2-methyl-3-piperidin-1-ylpyrazine;sulfuric acid
- English name
- Modaline
- Molecular formula
- C10H17N3O4S
- Molecular weight
- 275.32468
Names & synonyms
MODALINE SULFATE2856-75-9Modaline sulfate [USAN]NSC-89277W 3207B2-Methyl-3-piperidinopyrazine sulfate (1:1)2-Methyl-3-piperidinopyrazine monosulfateModaline sulphateW3207BW 3207 BPyrazine, 2-methyl-3-piperidino-, sulfateUNII-NH3315AI6E
Show more names
AIDS-156020Modaline sulfate, 10 mM in DMSO2-METHYL-3-PIPERIDINOPYRAZINE SULFATE2-Methyl-3-(piperidin-1-yl)pyrazine sulfateMAO,Modaline sulfate,inhibit,Modaline,Monoamine Oxidase,Inhibitor
M 7370NH3315AI6EPyrazine, 2-methyl-3-(1-piperidinyl)-, sulfate (1:1)Modaline Sulfate (USAN)W-3207BPyrazine, 2-methyl-3-piperidino-, sulfate (1:1)DTXSID60182775NSC89277
Database identifiers
- CAS
2856-75-9- PubChem CID
- 17859
- DTXSID
DTXSID60182775- ChEMBL
CHEMBL2107444
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 31 mg/mL · DMSO : ≥ 31 mg/mL (112.60 mM)
- form
- Solid
- color
- Light yellow to green yellow
- FDA UNII
- 3315 AI6E · NH3315AI6E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 oral · LD50 oral in rat: 730mg/kg
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
- Toxicity
- LD50 oral in rat: 730mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesantidepressant, antisecretory
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
上海凯裕医药科技有限公司17317130613 · [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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