Basic information
- CAS
13552-72-2- Standard SMILES
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3.[Cl-].[H+]- InChIKey
ZWSKLEMBDRWSNZ-ZOWNYOTGSA-N- Molecular formula
- C20H24ClNO4
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1393859
Overview
See also: Isocorydine hydrochloride (preferred).
Names & identifiers
- Preferred name
- (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol;hydron;chloride
- IUPAC
- (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol;hydron;chloride
- English name
- Isocorydine hydrochloride
- Molecular formula
- C20H24ClNO4
- Molecular weight
- 377.86
Names & synonyms
SCHEMBL28792126(+)-(RG)LUTEANINEARTABOTRINEPrestwick_281LUTEANINE(RG)(+)-ISOCORYDINE HCL(+)-Isocorydine HClISOCORYDINE HCL, (+)-d-Isocorydine chlorideIsocorydine Hcl(+)-(P)
Database identifiers
- CAS
13552-72-2- PubChem CID
- 175270643
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Melting point
- 216 · 216-220 °C(lit.)
- optical activity
- 180 · [α]/D 180±10°, c = 0.1 in methanol
- CAS DataBase Reference
- 13552 · 13552-72-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- T
- Safety Statements
- 16 · 16-23-45-22-7
- RIDADR
- 1544 · 1544
- WGK Germany
- 3 · 3
- RTECS
- 1057950 · CE1057950
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- CE1057950
- ridadr
- 1544
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 16-23-45-22-7
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesIsocorydine Hydrochloride is the hydrochloric acid of Isocorydine(I797000) which is an alkaloid inhibitor of eukaryotic kinases.
General DescriptionThis substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Suppliers29 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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