Jatrorrhizine Chloride
Basic information
- CAS
6681-15-8- Standard SMILES
COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2.[Cl-]- InChIKey
JKMUUZMCSNHBAX-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO4
- Average molar mass
- 373.8 g/mol
- Monoisotopic mass
- 373.1080858
Overview
See also: Jatrorrhizine (annotation moved to).
Names & identifiers
- Preferred name
- Jatrorrhizine Chloride
- IUPAC
- 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol chloride
- English name
- JATRORRHIZINE HCL(RG)
- Molecular formula
- C20H20NO4.ClH
- Molecular weight
- 374.842
Names & synonyms
Jatrorrhizine chloride6681-15-8RefChem:1504082,9,10-trimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-3-one;hydrochloride878-712-3Jatrorrhizine hydrochlorideJatrorrhizine (chloride)Jatrochizine chloride3-hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium chlorideMFCD00238625Jatorrhizine, chloride960383-96-4
Show more names
Jatrorrhizine，Neprotine chloride，Yatrorhizine chlorideNeprotine chlorideYatrorhizine chlorideJATRORRHIZINE HCL(RG)Jatrorrhizine chloride, 10 mM in DMSOYatrorhizine chloride|||Neprotine chloride2,9,10-trimethoxy-5,13a-dihydro-6H-isoquino[3,2-a]isoquinoli...
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;chloride3-Hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium Hydrochloride2106804-01-5NSC150445NSC2094106681-15-8 (chloride)Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, chloride (1:1); Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy-, chloride (8CI); Dibenzo[a,g]quinolizinium, 5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-, chloride (9CI); Jatrorrhizine chloride (7CI); NSC 645313; Neprotine chlorideCHEMBL274346
Properties
Computed structural properties
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Melting point
- 208 · 208-210 °C(Solv: methanol (67-56-1))
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in chloroform and methan
- form
- powder
- color
- Orange-red
- Stability
- Hygroscopic
- InChI
- InChI=1S/C20H19NO4.ClH/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H/p+1
- InChIKey
- JKMUUZMCSNHBAX-UHFFFAOYSA-O
- SMILES
- C12=CC3=C(C(OC)=C(OC)C=C3)C=[N+]1CCC1C=C(O)C(OC)=CC2=1.Cl
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- HS Code
- 29399990 · 29399990
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesJaztorrhizine is an alkaloid extract from the Berberidaceae family of plants displaying antioxidant activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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