Basic information
- CAS
7633-69-4- Standard SMILES
CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6OC(C)=O- InChIKey
ZEBMMHUDQRRILP-UHFFFAOYSA-N- Molecular formula
- C25H39NO6
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.27773796
Overview
Einecs 231-562-7 has been reported in Delphinium nuttallianum and Delphinium denudatum with data available.
Names & identifiers
- Preferred name
- Coldephnine
- IUPAC
- [11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
- English name
- CONDELPHINE
- Molecular formula
- C25H39NO6
- Molecular weight
- 449.58
Names & synonyms
ColdephnineRefChem:1082112Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1alpha,14alpha,16beta)-EINECS 231-562-7SCHEMBL29683506NSC76024codelphinekondelfinCONDELPHINECONDELPHINE(RG)14-alpha,16-beta)-alph20-Ethyl-16β-methoxy-4-(methoxymethyl)aconitane-1α,8,14α-triol 14-acetate
Show more names
14-triol,20-ethyl-16-methoxy-4-(methoxymethyl)-,14-acetate,(1-aconitane-8Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1α,14α,16β)-
Database identifiers
- CAS
7633-69-4- PubChem CID
- 93054
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 807
Physicochemical properties
- Melting point
- 158 · 158~159℃
- Boiling point
- 559.856 · 559.856±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.29 · 1.290±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 13.487 · 13.487±0.70(predicted)
- Safety Statements
- 22 · 22-36/37/39-45
- RIDADR
- 1544 · UN 1544 6.1/PG 2
- WGK Germany
- 3 · 3
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
- ridadr
- UN 1544 6.1/PG 2
- safety_code
- 22-36/37/39-45
Chemistry & industry
Applications
UsesCondelphine is a nicotinic acetylcholine (ACh) receptor antagonist; Aconitine-type norditerpenoid alkaloid.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Condelphine is a diterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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