Basic information
- CAS
86455-98-3- Standard SMILES
CN(C)CCNc1ccc(CO)c2oc3ccc(O)cc3c(=O)c12- InChIKey
BOTXZPXSICDQHE-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
- IUPAC
- 1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
- English name
- 1-((2-(diMethylaMino)ethyl)aMino)-7-hydroxy-4-(hydroxyMethyl)-9H-xanthen-9-one
- Molecular formula
- C18H20N2O4
- Molecular weight
- 328.36
Names & synonyms
86455-98-31-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-oneNSC3551841-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-oneNSC-355184MLS002702888MFCD22419378SMR0015667069H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-hydroxy-4-(hydroxymethyl)-1-{[2-(Dimethylamino)ethyl]amino}-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-oneNSC 355184CHEMBL416556
Show more names
9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-
cid_337396K44K33VWT2SCHEMBL11001878BDBM94854DTXSID702355641-(2-dimethylaminoethylamino)-7-hydroxy-4-(hydroxymethyl)xanthen-9-oneAKOS016011447DS-6248
Database identifiers
- CAS
86455-98-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- FDA UNII
- 44 K33VWT2 · K44K33VWT2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
成都彼样生物科技有限公司18108052721 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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