Basic information
- CAS
16142-27-1- Standard SMILES
Nc1c[n+](N2CCOCC2)no1.[Cl-]- InChIKey
ZRFWHHCXSSACAW-UHFFFAOYSA-M- Molecular formula
- C6H11ClN4O2
- Average molar mass
- 206.63 g/mol
- Monoisotopic mass
- 206.0570533
Names & identifiers
- Preferred name
- Linsidomine hydrochloride
- IUPAC
- 3-morpholin-4-yloxadiazol-3-ium-5-amine chloride
- English name
- 3-Morpholinosydnonimine hydrochloride
- Molecular formula
- C6H11N4O2.Cl
- Molecular weight
- 206.63
Names & synonyms
SIN-1 hydrochlorideLinsidomine hydrochlorideDTXSID9049039SIN-1 HCl3-Morpholinosydnonimine, HCl3-Morpholinosydnone imine hydrochlorideCCRIS 8450DTXCID4028965Sydnone imine, 3-morpholino-, monohydrochlorideLINSIDOMINE HYDROCHLORIDE [MART.]LINSIDOMINE HYDROCHLORIDE [WHO-DD]EC 605-254-1
Show more names
LINSIDOMINESIN-1 CHLORIDESIN-1LINSIDOMINE HCLSIN-I HYDROCHLORIDEMolsidoMine IMpurity ALinsidomine (chloride)Molsidomine Impurity 7
5-Amino-3-morpholin-4-yl-1,2,3-oxadiazolidin-3-ium chlorideLINSIDOMINE HYDROCHLORIDE (MART.)RefChem:799302605-254-116142-27-13-Morpholinosydnonimine hydrochloride1,2,3-Oxadiazolium, 5-amino-3-(4-morpholinyl)-, chloride (1:1)Linsidomine (hydrochloride)
Database identifiers
- CAS
16142-27-1- PubChem CID
- 197942
- DTXSID
DTXSID9049039- UNII
- Y0054U597M
- EC Number
- 605-254-1
Properties
Computed structural properties
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Density
- 1.303 at · 1.303 at 20℃
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (up to 35 mg/ml) or in Water (up to 65 mg/ml)
- form
- White solid
- color
- White
- Water Solubility
- soluble
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions must be prepared fresh and cannot be stored.
- InChI
- 1S/C6H10N4O2.ClH/c7-6-5-10(8-12-6)9-1-3-11-4-2-9;/h5,7H,1-4H2;1H
- InChIKey
- NCGICGYLBXGBGN-UHFFFAOYSA-N
- SMILES
- Cl[H].[NH-]c1c[n+](no1)N2CCOCC2
- LogP
- -6.28 at · -6.28 at 25℃
- CAS DataBase Reference
- 16142 · 16142-27-1(CAS DataBase Reference)
- FDA UNII
- 54 U597M · Y0054U597M
- ATC code
- 1 DX18 · C01DX18
- UNSPSC Code
- 12352200 · 12352200
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
Danger
H228 (50%): Flammable solid [Danger Flammable solids]
P210, P234, P235, P240, P241, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 5-amino-3-morpholin-4-yl-1,2,3-oxadiazolidin-3-ium chloride (EC: 605-254-1)
Hazard Classes and CategoriesFlam. Sol. 1 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- WU7687800
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionAs the active metabolite of molsidomine, SIN-1 (chloride) is a potent vasorelaxant and inhibitor of platelet aggregation. It produces both NO and superoxide and can therefore be used to generate peroxynitrite under physiological conditions.
UsesSIN-1 is a metabolite of the vasodilator molsidomine and is considered to be a peroxynitrite releasing compound
Uses3-Morpholinosydnonimine hydrochloride is a metabolite of the vasodilator Molsidomine (M488002) and is considered to be a peroxynitrite releasing compound. Molsidomine Impurity A.
Uses3-Morpholinosydnonimine hydrochloride has been used:as a peroxynitrite donor standard to study the accumulation of peroxynitriteinArabidopsis thalianato study its effects on nitrosative stress in human brain vascular pericytes and human embryonic kidney cellsas a ROS to study its effects on mouse embryonic fibroblasts
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…