Basic information
- CAS
116409-04-2- Standard SMILES
COc1cc(C2c3cc4c(cc3OC(N3CCCC3)C2C)OCO4)cc(OC)c1OC- InChIKey
LRLXUQCQYHLPOQ-UHFFFAOYSA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Names & identifiers
- Preferred name
- 1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine
- IUPAC
- 1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Names & synonyms
116409-04-21-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidineNSC375501Neuro_0002131-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidineCHEMBL1975667SCHEMBL19419832DTXSID30922049AKOS024419430NSC-375501NCI60_003522Pyrrolidine, 1-(7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-
Show more names
ST512415801-[7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl]pyrollidine1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine
Database identifiers
- CAS
116409-04-2- PubChem CID
- 146604
- DTXSID
DTXSID30922049- ChEMBL
CHEMBL1975667- EC Number
- 148-725-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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